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/hi-5e752c3b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1 curr_seq: _AAAAGUUUCUCAGAUAGGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC 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/hi-5e752c3b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1 curr_seq: _AAAAGUUUCUCAGAUAGGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC 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/hi-5e752c3b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1 curr_seq: _AAAAGUUUCUCAGAUAGGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC 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/hi-5e752c3b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1 curr_seq: _AAAAGUUUCUCAGAUAGGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC 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/hi-5e752c3b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1 curr_seq: _AAAAGUUUCUCAGAUAGGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC 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/hi-5e752c3b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1 curr_seq: _AAAAGUUUCUCAGAUAGGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC 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/hi-5e752c3b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1 curr_seq: _AAAAGUUUCUCAGAUAGGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC 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/hi-5e752c3b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1 curr_seq: _AAAAGUUUCUCAGAUAGGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC 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/hi-5e752c3b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1 curr_seq: _AAAAGUUUCUCAGAUAGGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC 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/hi-5e752c3b/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/hi-5e752c3b/inputs/seq.fa: 1 curr_seq: _AAAAGUUUCUCAGAUAGGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AAAAGUUUCUCAGAUAGGC 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: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.297726 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 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: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.297726 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 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: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.297726 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 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: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.297726 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 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: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.297726 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 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: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.297726 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 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: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.297726 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 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: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.297726 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 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: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.297726 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 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: -70.297726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.297726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.297726 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 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: -130.034312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.034312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.034312 (E_RNA) where: Base-Base interactions energy: -76.040 where: short stacking energy: -45.541 Base-Backbone interact. energy: 1.243 local terms energy: -55.237919 where: bonds (distance) C4'-P energy: -13.463 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -9.872 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -108.686271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.686271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.686271 (E_RNA) where: Base-Base interactions energy: -53.854 where: short stacking energy: -38.856 Base-Backbone interact. energy: -0.135 local terms energy: -54.697271 where: bonds (distance) C4'-P energy: -16.079 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -13.943 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -8.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -124.012002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.012002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.012002 (E_RNA) where: Base-Base interactions energy: -76.411 where: short stacking energy: -31.950 Base-Backbone interact. energy: 0.886 local terms energy: -48.486366 where: bonds (distance) C4'-P energy: -10.807 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -10.283 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -102.942047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.942047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.942047 (E_RNA) where: Base-Base interactions energy: -44.196 where: short stacking energy: -44.196 Base-Backbone interact. energy: 0.460 local terms energy: -59.206165 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -8.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -86.026516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.026516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.026516 (E_RNA) where: Base-Base interactions energy: -29.405 where: short stacking energy: -29.159 Base-Backbone interact. energy: -0.073 local terms energy: -56.548578 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -11.589 tors. eta vs tors. theta energy: -6.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -110.206585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.206585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.206585 (E_RNA) where: Base-Base interactions energy: -61.665 where: short stacking energy: -44.104 Base-Backbone interact. energy: -0.029 local terms energy: -48.512070 where: bonds (distance) C4'-P energy: -7.432 bonds (distance) P-C4' energy: -11.042 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -11.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -85.690201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.690201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.690201 (E_RNA) where: Base-Base interactions energy: -32.845 where: short stacking energy: -32.845 Base-Backbone interact. energy: -0.200 local terms energy: -52.645359 where: bonds (distance) C4'-P energy: -13.253 bonds (distance) P-C4' energy: -11.573 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -10.845 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -80.834286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.834286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.834286 (E_RNA) where: Base-Base interactions energy: -28.365 where: short stacking energy: -26.651 Base-Backbone interact. energy: 3.283 local terms energy: -55.752579 where: bonds (distance) C4'-P energy: -11.390 bonds (distance) P-C4' energy: -14.500 flat angles C4'-P-C4' energy: -10.084 flat angles P-C4'-P energy: -10.213 tors. eta vs tors. theta energy: -9.566 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -72.571716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.571716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.571716 (E_RNA) where: Base-Base interactions energy: -42.138 where: short stacking energy: -22.892 Base-Backbone interact. energy: -0.225 local terms energy: -30.209106 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -11.377 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: 2.122 tors. eta vs tors. theta energy: -3.479 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -69.182442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.182442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.182442 (E_RNA) where: Base-Base interactions energy: 0.500 where: short stacking energy: 0.500 Base-Backbone interact. energy: -0.000 local terms energy: -69.682405 where: bonds (distance) C4'-P energy: -18.344 bonds (distance) P-C4' energy: -17.886 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -15.798 tors. eta vs tors. theta energy: -4.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -135.465788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.465788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.465788 (E_RNA) where: Base-Base interactions energy: -71.959 where: short stacking energy: -46.050 Base-Backbone interact. energy: -0.041 local terms energy: -63.465440 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -14.926 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -13.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -140.621461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.621461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.621461 (E_RNA) where: Base-Base interactions energy: -84.664 where: short stacking energy: -38.795 Base-Backbone interact. energy: 0.028 local terms energy: -55.985265 where: bonds (distance) C4'-P energy: -11.203 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -5.872 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: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -100.894555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.894555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.894555 (E_RNA) where: Base-Base interactions energy: -45.099 where: short stacking energy: -39.813 Base-Backbone interact. energy: -0.171 local terms energy: -55.624697 where: bonds (distance) C4'-P energy: -11.414 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -8.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -112.740294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.740294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.740294 (E_RNA) where: Base-Base interactions energy: -65.164 where: short stacking energy: -36.910 Base-Backbone interact. energy: -0.495 local terms energy: -47.081916 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -15.203 flat angles C4'-P-C4' energy: -1.070 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -7.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -97.265212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.265212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.265212 (E_RNA) where: Base-Base interactions energy: -48.524 where: short stacking energy: -21.731 Base-Backbone interact. energy: -1.047 local terms energy: -47.694363 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -9.722 flat angles P-C4'-P energy: -7.997 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: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -89.441064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.441064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.441064 (E_RNA) where: Base-Base interactions energy: -36.191 where: short stacking energy: -35.255 Base-Backbone interact. energy: -0.006 local terms energy: -53.244696 where: bonds (distance) C4'-P energy: -11.936 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -14.036 flat angles P-C4'-P energy: -9.096 tors. eta vs tors. theta energy: -4.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -87.974747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.974747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.974747 (E_RNA) where: Base-Base interactions energy: -55.322 where: short stacking energy: -28.668 Base-Backbone interact. energy: -0.048 local terms energy: -32.603905 where: bonds (distance) C4'-P energy: -10.888 bonds (distance) P-C4' energy: -2.713 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -4.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -76.390485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.390485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.390485 (E_RNA) where: Base-Base interactions energy: -31.444 where: short stacking energy: -27.070 Base-Backbone interact. energy: 0.999 local terms energy: -45.945952 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -11.133 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -7.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -75.931821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.931821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.931821 (E_RNA) where: Base-Base interactions energy: -26.694 where: short stacking energy: -21.266 Base-Backbone interact. energy: -1.050 local terms energy: -48.187811 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -9.729 flat angles C4'-P-C4' energy: -8.750 flat angles P-C4'-P energy: -6.883 tors. eta vs tors. theta energy: -9.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -67.572876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.572876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.572876 (E_RNA) where: Base-Base interactions energy: -22.202 where: short stacking energy: -22.202 Base-Backbone interact. energy: 1.856 local terms energy: -47.226905 where: bonds (distance) C4'-P energy: -13.973 bonds (distance) P-C4' energy: -11.238 flat angles C4'-P-C4' energy: -10.414 flat angles P-C4'-P energy: -7.356 tors. eta vs tors. theta energy: -4.246 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -154.286827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.286827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.286827 (E_RNA) where: Base-Base interactions energy: -85.042 where: short stacking energy: -49.346 Base-Backbone interact. energy: -0.094 local terms energy: -69.151049 where: bonds (distance) C4'-P energy: -12.210 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -11.522 tors. eta vs tors. theta energy: -15.848 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: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -146.777219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.777219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.777219 (E_RNA) where: Base-Base interactions energy: -89.944 where: short stacking energy: -42.492 Base-Backbone interact. energy: -0.387 local terms energy: -56.446576 where: bonds (distance) C4'-P energy: -11.940 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -15.940 flat angles P-C4'-P energy: -7.445 tors. eta vs tors. theta energy: -5.610 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: 4 Temperature: 1.000000 Total energy: -128.585357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.585357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.585357 (E_RNA) where: Base-Base interactions energy: -72.523 where: short stacking energy: -40.685 Base-Backbone interact. energy: -0.027 local terms energy: -56.036133 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: -9.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -97.727517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.727517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.727517 (E_RNA) where: Base-Base interactions energy: -39.462 where: short stacking energy: -37.471 Base-Backbone interact. energy: -0.000 local terms energy: -58.265743 where: bonds (distance) C4'-P energy: -14.437 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -7.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -83.218787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.218787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.218787 (E_RNA) where: Base-Base interactions energy: -33.811 where: short stacking energy: -33.811 Base-Backbone interact. energy: -0.195 local terms energy: -49.212484 where: bonds (distance) C4'-P energy: -4.935 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -16.174 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -5.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -91.472391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.472391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.472391 (E_RNA) where: Base-Base interactions energy: -40.729 where: short stacking energy: -31.862 Base-Backbone interact. energy: -0.051 local terms energy: -50.693038 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -10.317 flat angles C4'-P-C4' energy: -11.073 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: -8.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -83.411853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.411853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.411853 (E_RNA) where: Base-Base interactions energy: -32.327 where: short stacking energy: -32.327 Base-Backbone interact. energy: -0.004 local terms energy: -51.081159 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -16.411 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -9.758 tors. eta vs tors. theta energy: -8.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -73.531843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.531843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.531843 (E_RNA) where: Base-Base interactions energy: -38.816 where: short stacking energy: -10.659 Base-Backbone interact. energy: 1.343 local terms energy: -36.059278 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -9.250 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -6.833 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: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -71.409615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.409615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.409615 (E_RNA) where: Base-Base interactions energy: -33.022 where: short stacking energy: -31.612 Base-Backbone interact. energy: -0.254 local terms energy: -38.133683 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -12.779 flat angles C4'-P-C4' energy: -3.325 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -81.345177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.345177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.345177 (E_RNA) where: Base-Base interactions energy: -34.743 where: short stacking energy: -32.450 Base-Backbone interact. energy: -0.021 local terms energy: -46.580933 where: bonds (distance) C4'-P energy: -15.144 bonds (distance) P-C4' energy: -10.527 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -4.364 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -176.327165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.327165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.327165 (E_RNA) where: Base-Base interactions energy: -109.759 where: short stacking energy: -56.972 Base-Backbone interact. energy: -0.307 local terms energy: -66.261520 where: bonds (distance) C4'-P energy: -14.884 bonds (distance) P-C4' energy: -11.593 flat angles C4'-P-C4' energy: -14.832 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -15.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -152.452629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.452629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.452629 (E_RNA) where: Base-Base interactions energy: -91.712 where: short stacking energy: -46.949 Base-Backbone interact. energy: -0.059 local terms energy: -60.680908 where: bonds (distance) C4'-P energy: -14.635 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -11.122 flat angles P-C4'-P energy: -7.415 tors. eta vs tors. theta energy: -12.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -123.957919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.957919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.957919 (E_RNA) where: Base-Base interactions energy: -69.040 where: short stacking energy: -40.895 Base-Backbone interact. energy: -0.299 local terms energy: -54.618935 where: bonds (distance) C4'-P energy: -14.788 bonds (distance) P-C4' energy: -12.345 flat angles C4'-P-C4' energy: -15.150 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -7.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -110.033630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.033630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.033630 (E_RNA) where: Base-Base interactions energy: -60.766 where: short stacking energy: -30.144 Base-Backbone interact. energy: 1.339 local terms energy: -50.606392 where: bonds (distance) C4'-P energy: -10.581 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -13.380 flat angles P-C4'-P energy: -9.679 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: 5, replica: 7 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -107.142081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.142081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.142081 (E_RNA) where: Base-Base interactions energy: -49.247 where: short stacking energy: -40.034 Base-Backbone interact. energy: -0.117 local terms energy: -57.778706 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -15.460 flat angles C4'-P-C4' energy: -12.890 flat angles P-C4'-P energy: -9.683 tors. eta vs tors. theta energy: -6.410 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: 5 Temperature: 1.150000 Total energy: -80.847115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.847115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.847115 (E_RNA) where: Base-Base interactions energy: -30.364 where: short stacking energy: -30.364 Base-Backbone interact. energy: -0.113 local terms energy: -50.369868 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -11.537 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -10.885 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: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -98.968994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.968994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.968994 (E_RNA) where: Base-Base interactions energy: -42.494 where: short stacking energy: -26.393 Base-Backbone interact. energy: -0.521 local terms energy: -55.953609 where: bonds (distance) C4'-P energy: -16.138 bonds (distance) P-C4' energy: -12.744 flat angles C4'-P-C4' energy: -13.877 flat angles P-C4'-P energy: -7.626 tors. eta vs tors. theta energy: -5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -76.421671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.421671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.421671 (E_RNA) where: Base-Base interactions energy: -25.326 where: short stacking energy: -25.326 Base-Backbone interact. energy: -0.061 local terms energy: -51.034160 where: bonds (distance) C4'-P energy: -16.969 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -7.173 tors. eta vs tors. theta energy: -3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -81.924540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.924540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.924540 (E_RNA) where: Base-Base interactions energy: -27.850 where: short stacking energy: -27.502 Base-Backbone interact. energy: 0.344 local terms energy: -54.418728 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -11.134 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -86.477348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.477348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.477348 (E_RNA) where: Base-Base interactions energy: -40.910 where: short stacking energy: -31.310 Base-Backbone interact. energy: -0.104 local terms energy: -45.463345 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -11.860 flat angles C4'-P-C4' energy: -12.444 flat angles P-C4'-P energy: -9.463 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -172.871242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.871242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.871242 (E_RNA) where: Base-Base interactions energy: -105.780 where: short stacking energy: -54.883 Base-Backbone interact. energy: -0.538 local terms energy: -66.552621 where: bonds (distance) C4'-P energy: -13.223 bonds (distance) P-C4' energy: -12.325 flat angles C4'-P-C4' energy: -15.004 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -16.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -155.591811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.591811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.591811 (E_RNA) where: Base-Base interactions energy: -92.236 where: short stacking energy: -36.779 Base-Backbone interact. energy: -0.935 local terms energy: -62.421098 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -16.897 flat angles P-C4'-P energy: -12.370 tors. eta vs tors. theta energy: -6.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -115.050895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.050895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.050895 (E_RNA) where: Base-Base interactions energy: -56.487 where: short stacking energy: -44.524 Base-Backbone interact. energy: -0.012 local terms energy: -58.551839 where: bonds (distance) C4'-P energy: -12.498 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -14.051 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -7.926 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: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -117.241300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.241300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.241300 (E_RNA) where: Base-Base interactions energy: -63.808 where: short stacking energy: -38.803 Base-Backbone interact. energy: -0.051 local terms energy: -53.382948 where: bonds (distance) C4'-P energy: -12.602 bonds (distance) P-C4' energy: -13.101 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -10.446 tors. eta vs tors. theta energy: -3.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -88.386646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.386646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.386646 (E_RNA) where: Base-Base interactions energy: -42.576 where: short stacking energy: -32.573 Base-Backbone interact. energy: -0.194 local terms energy: -45.617244 where: bonds (distance) C4'-P energy: -9.842 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -10.852 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -4.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -89.550819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.550819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.550819 (E_RNA) where: Base-Base interactions energy: -37.461 where: short stacking energy: -19.929 Base-Backbone interact. energy: -0.946 local terms energy: -51.143805 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -13.909 flat angles P-C4'-P energy: -10.185 tors. eta vs tors. theta energy: -5.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -89.721043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.721043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.721043 (E_RNA) where: Base-Base interactions energy: -34.960 where: short stacking energy: -24.132 Base-Backbone interact. energy: -0.313 local terms energy: -54.447713 where: bonds (distance) C4'-P energy: -15.658 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -11.438 flat angles P-C4'-P energy: -7.925 tors. eta vs tors. theta energy: -5.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -77.601481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.601481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.601481 (E_RNA) where: Base-Base interactions energy: -34.037 where: short stacking energy: -20.810 Base-Backbone interact. energy: -0.207 local terms energy: -43.356856 where: bonds (distance) C4'-P energy: -14.879 bonds (distance) P-C4' energy: -11.439 flat angles C4'-P-C4' energy: -11.112 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -0.669 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: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -81.573174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.573174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.573174 (E_RNA) where: Base-Base interactions energy: -33.711 where: short stacking energy: -29.920 Base-Backbone interact. energy: -0.007 local terms energy: -47.854898 where: bonds (distance) C4'-P energy: -9.262 bonds (distance) P-C4' energy: -12.715 flat angles C4'-P-C4' energy: -13.595 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -6.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -66.454968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.454968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.454968 (E_RNA) where: Base-Base interactions energy: -22.713 where: short stacking energy: -19.210 Base-Backbone interact. energy: 0.472 local terms energy: -44.214758 where: bonds (distance) C4'-P energy: -13.737 bonds (distance) P-C4' energy: -11.310 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -8.083 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -165.794128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.794128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.794128 (E_RNA) where: Base-Base interactions energy: -93.002 where: short stacking energy: -58.759 Base-Backbone interact. energy: -0.003 local terms energy: -72.788788 where: bonds (distance) C4'-P energy: -16.361 bonds (distance) P-C4' energy: -13.538 flat angles C4'-P-C4' energy: -12.371 flat angles P-C4'-P energy: -12.226 tors. eta vs tors. theta energy: -18.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -154.065041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.065041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.065041 (E_RNA) where: Base-Base interactions energy: -94.151 where: short stacking energy: -59.344 Base-Backbone interact. energy: -0.001 local terms energy: -59.913776 where: bonds (distance) C4'-P energy: -13.572 bonds (distance) P-C4' energy: -12.418 flat angles C4'-P-C4' energy: -11.202 flat angles P-C4'-P energy: -10.664 tors. eta vs tors. theta energy: -12.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -98.051943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.051943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.051943 (E_RNA) where: Base-Base interactions energy: -40.159 where: short stacking energy: -40.159 Base-Backbone interact. energy: 0.921 local terms energy: -58.814059 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -11.573 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -10.615 tors. eta vs tors. theta energy: -7.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -104.398586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.398586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.398586 (E_RNA) where: Base-Base interactions energy: -46.366 where: short stacking energy: -46.366 Base-Backbone interact. energy: -0.001 local terms energy: -58.032366 where: bonds (distance) C4'-P energy: -10.678 bonds (distance) P-C4' energy: -13.839 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -6.446 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: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -98.248406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.248406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.248406 (E_RNA) where: Base-Base interactions energy: -58.370 where: short stacking energy: -30.871 Base-Backbone interact. energy: -0.122 local terms energy: -39.757153 where: bonds (distance) C4'-P energy: -16.908 bonds (distance) P-C4' energy: -3.059 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -3.420 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: 4 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -109.643696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.643696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.643696 (E_RNA) where: Base-Base interactions energy: -64.653 where: short stacking energy: -41.003 Base-Backbone interact. energy: 0.369 local terms energy: -45.359561 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -9.396 flat angles C4'-P-C4' energy: -10.945 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -7.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -89.933460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.933460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.933460 (E_RNA) where: Base-Base interactions energy: -35.531 where: short stacking energy: -25.792 Base-Backbone interact. energy: -0.364 local terms energy: -54.037857 where: bonds (distance) C4'-P energy: -13.063 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -13.279 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -5.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -75.216975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.216975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.216975 (E_RNA) where: Base-Base interactions energy: -33.332 where: short stacking energy: -19.334 Base-Backbone interact. energy: -0.870 local terms energy: -41.015124 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -14.472 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: 3.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -72.930347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.930347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.930347 (E_RNA) where: Base-Base interactions energy: -27.808 where: short stacking energy: -25.427 Base-Backbone interact. energy: -0.106 local terms energy: -45.016495 where: bonds (distance) C4'-P energy: -8.417 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: 0.390 tors. eta vs tors. theta energy: -9.658 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: 10, replica: 6 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -72.870670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.870670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.870670 (E_RNA) where: Base-Base interactions energy: -24.669 where: short stacking energy: -24.598 Base-Backbone interact. energy: -0.002 local terms energy: -48.199231 where: bonds (distance) C4'-P energy: -12.026 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -6.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -170.020367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.020367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.020367 (E_RNA) where: Base-Base interactions energy: -99.866 where: short stacking energy: -62.120 Base-Backbone interact. energy: -0.002 local terms energy: -70.151672 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -11.147 tors. eta vs tors. theta energy: -17.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -147.986086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.986086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.986086 (E_RNA) where: Base-Base interactions energy: -80.564 where: short stacking energy: -48.953 Base-Backbone interact. energy: 0.056 local terms energy: -67.477361 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -12.895 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: -15.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -119.410879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.410879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.410879 (E_RNA) where: Base-Base interactions energy: -76.031 where: short stacking energy: -37.732 Base-Backbone interact. energy: -0.124 local terms energy: -43.255848 where: bonds (distance) C4'-P energy: -10.969 bonds (distance) P-C4' energy: -13.295 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -107.211797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.211797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.211797 (E_RNA) where: Base-Base interactions energy: -45.892 where: short stacking energy: -45.892 Base-Backbone interact. energy: -0.004 local terms energy: -61.316495 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -15.994 flat angles P-C4'-P energy: -6.249 tors. eta vs tors. theta energy: -14.033 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: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -104.814956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.814956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.814956 (E_RNA) where: Base-Base interactions energy: -55.966 where: short stacking energy: -32.445 Base-Backbone interact. energy: -0.109 local terms energy: -48.740402 where: bonds (distance) C4'-P energy: -9.298 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -11.459 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -6.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -103.797839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.797839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.797839 (E_RNA) where: Base-Base interactions energy: -49.223 where: short stacking energy: -23.993 Base-Backbone interact. energy: 0.078 local terms energy: -54.653395 where: bonds (distance) C4'-P energy: -14.863 bonds (distance) P-C4' energy: -13.845 flat angles C4'-P-C4' energy: -10.908 flat angles P-C4'-P energy: -12.735 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -84.445899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.445899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.445899 (E_RNA) where: Base-Base interactions energy: -41.694 where: short stacking energy: -27.308 Base-Backbone interact. energy: -0.647 local terms energy: -42.105870 where: bonds (distance) C4'-P energy: -9.051 bonds (distance) P-C4' energy: -8.918 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -7.839 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -82.808059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.808059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.808059 (E_RNA) where: Base-Base interactions energy: -37.227 where: short stacking energy: -34.138 Base-Backbone interact. energy: -0.220 local terms energy: -45.361345 where: bonds (distance) C4'-P energy: -8.784 bonds (distance) P-C4' energy: -10.967 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -8.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -68.034030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.034030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.034030 (E_RNA) where: Base-Base interactions energy: -21.007 where: short stacking energy: -21.007 Base-Backbone interact. energy: -0.140 local terms energy: -46.887127 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -0.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -65.821471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.821471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.821471 (E_RNA) where: Base-Base interactions energy: -27.893 where: short stacking energy: -9.953 Base-Backbone interact. energy: -0.354 local terms energy: -37.574487 where: bonds (distance) C4'-P energy: -6.785 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -13.895 flat angles P-C4'-P energy: -7.399 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: 9 Temperature: 0.900000 Total energy: -162.894447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.894447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.894447 (E_RNA) where: Base-Base interactions energy: -100.244 where: short stacking energy: -58.632 Base-Backbone interact. energy: 0.096 local terms energy: -62.746776 where: bonds (distance) C4'-P energy: -9.050 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -15.861 flat angles P-C4'-P energy: -9.796 tors. eta vs tors. theta energy: -16.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -158.872797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.872797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.872797 (E_RNA) where: Base-Base interactions energy: -99.650 where: short stacking energy: -42.033 Base-Backbone interact. energy: -0.428 local terms energy: -58.794127 where: bonds (distance) C4'-P energy: -9.108 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -14.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -146.508881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.508881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.508881 (E_RNA) where: Base-Base interactions energy: -79.569 where: short stacking energy: -49.570 Base-Backbone interact. energy: -0.277 local terms energy: -66.662513 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -14.938 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -10.812 tors. eta vs tors. theta energy: -11.667 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: 2 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -96.927794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.927794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.927794 (E_RNA) where: Base-Base interactions energy: -50.865 where: short stacking energy: -24.399 Base-Backbone interact. energy: -0.053 local terms energy: -46.009526 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -11.126 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -1.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -127.632869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.632869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.632869 (E_RNA) where: Base-Base interactions energy: -76.434 where: short stacking energy: -36.947 Base-Backbone interact. energy: 0.559 local terms energy: -51.757114 where: bonds (distance) C4'-P energy: -14.482 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -12.439 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -5.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -102.207962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.207962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.207962 (E_RNA) where: Base-Base interactions energy: -51.098 where: short stacking energy: -35.422 Base-Backbone interact. energy: -0.199 local terms energy: -50.911244 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -8.725 flat angles C4'-P-C4' energy: -13.971 flat angles P-C4'-P energy: -7.796 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -81.683015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.683015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.683015 (E_RNA) where: Base-Base interactions energy: -26.545 where: short stacking energy: -26.545 Base-Backbone interact. energy: -0.125 local terms energy: -55.012595 where: bonds (distance) C4'-P energy: -14.337 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -9.418 flat angles P-C4'-P energy: -10.914 tors. eta vs tors. theta energy: -5.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -87.149526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.149526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.149526 (E_RNA) where: Base-Base interactions energy: -43.931 where: short stacking energy: -18.425 Base-Backbone interact. energy: 0.008 local terms energy: -43.226342 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -12.995 flat angles C4'-P-C4' energy: -9.011 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: -2.056 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: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -75.042231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.042231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.042231 (E_RNA) where: Base-Base interactions energy: -28.425 where: short stacking energy: -28.425 Base-Backbone interact. energy: -0.022 local terms energy: -46.594931 where: bonds (distance) C4'-P energy: -11.278 bonds (distance) P-C4' energy: -10.810 flat angles C4'-P-C4' energy: -12.054 flat angles P-C4'-P energy: -9.547 tors. eta vs tors. theta energy: -2.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -74.145538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.145538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.145538 (E_RNA) where: Base-Base interactions energy: -33.199 where: short stacking energy: -25.787 Base-Backbone interact. energy: -0.077 local terms energy: -40.869615 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -9.499 flat angles C4'-P-C4' energy: -13.375 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -3.452 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: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -173.494881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.494881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.494881 (E_RNA) where: Base-Base interactions energy: -102.407 where: short stacking energy: -54.042 Base-Backbone interact. energy: 0.113 local terms energy: -71.200551 where: bonds (distance) C4'-P energy: -12.785 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -13.349 flat angles P-C4'-P energy: -10.789 tors. eta vs tors. theta energy: -19.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -167.524867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.524867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.524867 (E_RNA) where: Base-Base interactions energy: -97.176 where: short stacking energy: -56.041 Base-Backbone interact. energy: -0.144 local terms energy: -70.204981 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -12.174 flat angles P-C4'-P energy: -10.155 tors. eta vs tors. theta energy: -16.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -144.880073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.880073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.880073 (E_RNA) where: Base-Base interactions energy: -89.981 where: short stacking energy: -38.769 Base-Backbone interact. energy: -0.013 local terms energy: -54.885393 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -9.992 flat angles C4'-P-C4' energy: -14.910 flat angles P-C4'-P energy: -5.553 tors. eta vs tors. theta energy: -11.522 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: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -116.864632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.864632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.864632 (E_RNA) where: Base-Base interactions energy: -60.906 where: short stacking energy: -39.349 Base-Backbone interact. energy: -0.076 local terms energy: -55.882486 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -14.474 flat angles P-C4'-P energy: -3.141 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: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -93.096545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.096545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.096545 (E_RNA) where: Base-Base interactions energy: -34.730 where: short stacking energy: -34.154 Base-Backbone interact. energy: 0.719 local terms energy: -59.085936 where: bonds (distance) C4'-P energy: -11.427 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -7.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -85.845027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.845027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.845027 (E_RNA) where: Base-Base interactions energy: -37.377 where: short stacking energy: -30.745 Base-Backbone interact. energy: -0.076 local terms energy: -48.392395 where: bonds (distance) C4'-P energy: -13.547 bonds (distance) P-C4' energy: -9.365 flat angles C4'-P-C4' energy: -12.034 flat angles P-C4'-P energy: -9.783 tors. eta vs tors. theta energy: -3.663 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: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -109.189456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.189456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.189456 (E_RNA) where: Base-Base interactions energy: -62.893 where: short stacking energy: -27.951 Base-Backbone interact. energy: -0.428 local terms energy: -45.867683 where: bonds (distance) C4'-P energy: -14.896 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -0.846 tors. eta vs tors. theta energy: -1.749 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: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -81.984869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.984869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.984869 (E_RNA) where: Base-Base interactions energy: -29.749 where: short stacking energy: -27.259 Base-Backbone interact. energy: -0.542 local terms energy: -51.693119 where: bonds (distance) C4'-P energy: -11.344 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -11.844 flat angles P-C4'-P energy: -6.679 tors. eta vs tors. theta energy: -9.728 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: 9, replica: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -68.596760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.596760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.596760 (E_RNA) where: Base-Base interactions energy: -23.712 where: short stacking energy: -23.585 Base-Backbone interact. energy: -0.275 local terms energy: -44.610048 where: bonds (distance) C4'-P energy: -9.782 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -12.341 flat angles P-C4'-P energy: -2.395 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -68.713954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.713954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.713954 (E_RNA) where: Base-Base interactions energy: -25.450 where: short stacking energy: -20.576 Base-Backbone interact. energy: 0.336 local terms energy: -43.599105 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -11.709 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -0.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -172.869418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.869418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.869418 (E_RNA) where: Base-Base interactions energy: -104.339 where: short stacking energy: -48.703 Base-Backbone interact. energy: -0.014 local terms energy: -68.515897 where: bonds (distance) C4'-P energy: -11.622 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -14.659 flat angles P-C4'-P energy: -11.185 tors. eta vs tors. theta energy: -15.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -168.457922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.457922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.457922 (E_RNA) where: Base-Base interactions energy: -108.690 where: short stacking energy: -56.195 Base-Backbone interact. energy: -0.062 local terms energy: -59.705717 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -12.854 flat angles C4'-P-C4' energy: -9.861 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -14.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -148.530392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.530392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.530392 (E_RNA) where: Base-Base interactions energy: -95.114 where: short stacking energy: -35.917 Base-Backbone interact. energy: -0.118 local terms energy: -53.298388 where: bonds (distance) C4'-P energy: -13.732 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -13.397 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -6.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -112.231496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.231496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.231496 (E_RNA) where: Base-Base interactions energy: -58.620 where: short stacking energy: -30.537 Base-Backbone interact. energy: -0.233 local terms energy: -53.378355 where: bonds (distance) C4'-P energy: -10.761 bonds (distance) P-C4' energy: -13.832 flat angles C4'-P-C4' energy: -11.707 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -6.785 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: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -131.877488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.877488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.877488 (E_RNA) where: Base-Base interactions energy: -71.791 where: short stacking energy: -37.111 Base-Backbone interact. energy: -0.059 local terms energy: -60.027535 where: bonds (distance) C4'-P energy: -14.606 bonds (distance) P-C4' energy: -13.837 flat angles C4'-P-C4' energy: -13.054 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -9.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -104.416582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.416582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.416582 (E_RNA) where: Base-Base interactions energy: -56.827 where: short stacking energy: -42.071 Base-Backbone interact. energy: -0.064 local terms energy: -47.524977 where: bonds (distance) C4'-P energy: -10.068 bonds (distance) P-C4' energy: -14.756 flat angles C4'-P-C4' energy: -9.834 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -8.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -84.805288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.805288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.805288 (E_RNA) where: Base-Base interactions energy: -33.169 where: short stacking energy: -28.969 Base-Backbone interact. energy: 1.039 local terms energy: -52.674945 where: bonds (distance) C4'-P energy: -10.826 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -6.998 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: 8, replica: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -72.840772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.840772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.840772 (E_RNA) where: Base-Base interactions energy: -27.716 where: short stacking energy: -22.646 Base-Backbone interact. energy: 1.956 local terms energy: -47.081109 where: bonds (distance) C4'-P energy: -10.442 bonds (distance) P-C4' energy: -11.449 flat angles C4'-P-C4' energy: -11.417 flat angles P-C4'-P energy: -8.031 tors. eta vs tors. theta energy: -5.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -76.853031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.853031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.853031 (E_RNA) where: Base-Base interactions energy: -29.535 where: short stacking energy: -20.831 Base-Backbone interact. energy: -0.410 local terms energy: -46.908375 where: bonds (distance) C4'-P energy: -12.536 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -5.007 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: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -67.326790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.326790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.326790 (E_RNA) where: Base-Base interactions energy: -43.498 where: short stacking energy: -16.585 Base-Backbone interact. energy: 2.109 local terms energy: -25.938736 where: bonds (distance) C4'-P energy: -6.186 bonds (distance) P-C4' energy: -12.335 flat angles C4'-P-C4' energy: -0.703 flat angles P-C4'-P energy: -7.075 tors. eta vs tors. theta energy: 0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -169.654692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.654692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.654692 (E_RNA) where: Base-Base interactions energy: -102.464 where: short stacking energy: -63.423 Base-Backbone interact. energy: -0.003 local terms energy: -67.188075 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -12.512 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -16.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -166.486553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.486553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.486553 (E_RNA) where: Base-Base interactions energy: -103.022 where: short stacking energy: -38.794 Base-Backbone interact. energy: -0.224 local terms energy: -63.239748 where: bonds (distance) C4'-P energy: -14.751 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -8.067 tors. eta vs tors. theta energy: -10.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -158.619925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.619925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.619925 (E_RNA) where: Base-Base interactions energy: -99.716 where: short stacking energy: -46.028 Base-Backbone interact. energy: -0.232 local terms energy: -58.671459 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -12.193 flat angles C4'-P-C4' energy: -14.645 flat angles P-C4'-P energy: -9.398 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: 4, replica: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -126.639765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.639765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.639765 (E_RNA) where: Base-Base interactions energy: -78.660 where: short stacking energy: -41.474 Base-Backbone interact. energy: 1.528 local terms energy: -49.507990 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -14.479 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -10.035 tors. eta vs tors. theta energy: -4.185 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: 2 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -125.221399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.221399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.221399 (E_RNA) where: Base-Base interactions energy: -75.800 where: short stacking energy: -36.668 Base-Backbone interact. energy: 2.713 local terms energy: -52.133836 where: bonds (distance) C4'-P energy: -9.368 bonds (distance) P-C4' energy: -13.537 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -6.498 tors. eta vs tors. theta energy: -9.858 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: 7 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -87.484317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.484317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.484317 (E_RNA) where: Base-Base interactions energy: -29.831 where: short stacking energy: -29.831 Base-Backbone interact. energy: -0.013 local terms energy: -57.639942 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -16.264 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -9.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -100.626001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.626001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.626001 (E_RNA) where: Base-Base interactions energy: -52.927 where: short stacking energy: -36.877 Base-Backbone interact. energy: -0.928 local terms energy: -46.770125 where: bonds (distance) C4'-P energy: -10.590 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -78.778905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.778905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.778905 (E_RNA) where: Base-Base interactions energy: -29.088 where: short stacking energy: -27.178 Base-Backbone interact. energy: 0.086 local terms energy: -49.776626 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -13.764 flat angles C4'-P-C4' energy: -12.603 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: -5.919 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: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -71.969595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.969595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.969595 (E_RNA) where: Base-Base interactions energy: -29.163 where: short stacking energy: -25.949 Base-Backbone interact. energy: -0.042 local terms energy: -42.764915 where: bonds (distance) C4'-P energy: -15.636 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -10.068 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -0.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -64.253522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.253522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.253522 (E_RNA) where: Base-Base interactions energy: -18.763 where: short stacking energy: -18.397 Base-Backbone interact. energy: -0.019 local terms energy: -45.471602 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -15.383 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: 1.231 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: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -162.314518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.314518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.314518 (E_RNA) where: Base-Base interactions energy: -94.592 where: short stacking energy: -62.799 Base-Backbone interact. energy: -0.035 local terms energy: -67.687394 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -11.618 flat angles C4'-P-C4' energy: -14.903 flat angles P-C4'-P energy: -10.342 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: 2, replica: 9 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -167.089204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.089204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.089204 (E_RNA) where: Base-Base interactions energy: -99.450 where: short stacking energy: -51.398 Base-Backbone interact. energy: -0.694 local terms energy: -66.945189 where: bonds (distance) C4'-P energy: -14.163 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -16.369 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -14.061 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: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -166.382571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.382571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.382571 (E_RNA) where: Base-Base interactions energy: -103.472 where: short stacking energy: -42.530 Base-Backbone interact. energy: -0.770 local terms energy: -62.141173 where: bonds (distance) C4'-P energy: -12.359 bonds (distance) P-C4' energy: -12.290 flat angles C4'-P-C4' energy: -11.659 flat angles P-C4'-P energy: -13.661 tors. eta vs tors. theta energy: -12.172 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: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -123.375802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.375802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.375802 (E_RNA) where: Base-Base interactions energy: -72.885 where: short stacking energy: -37.447 Base-Backbone interact. energy: -0.013 local terms energy: -50.478032 where: bonds (distance) C4'-P energy: -10.822 bonds (distance) P-C4' energy: -11.303 flat angles C4'-P-C4' energy: -10.324 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -92.623143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.623143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.623143 (E_RNA) where: Base-Base interactions energy: -37.520 where: short stacking energy: -33.548 Base-Backbone interact. energy: 0.216 local terms energy: -55.319718 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -12.586 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -6.832 tors. eta vs tors. theta energy: -7.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -95.143053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.143053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.143053 (E_RNA) where: Base-Base interactions energy: -45.570 where: short stacking energy: -22.667 Base-Backbone interact. energy: -0.270 local terms energy: -49.303388 where: bonds (distance) C4'-P energy: -13.581 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -15.069 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -4.381 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: 13 Temperature: 1.200000 Total energy: -76.072138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.072138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.072138 (E_RNA) where: Base-Base interactions energy: -27.411 where: short stacking energy: -23.617 Base-Backbone interact. energy: -0.057 local terms energy: -48.604422 where: bonds (distance) C4'-P energy: -10.155 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -13.017 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -81.456461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.456461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.456461 (E_RNA) where: Base-Base interactions energy: -34.129 where: short stacking energy: -19.811 Base-Backbone interact. energy: -0.130 local terms energy: -47.196751 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -15.284 flat angles C4'-P-C4' energy: -10.803 flat angles P-C4'-P energy: -2.063 tors. eta vs tors. theta energy: -5.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -79.468259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.468259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.468259 (E_RNA) where: Base-Base interactions energy: -25.139 where: short stacking energy: -25.139 Base-Backbone interact. energy: -0.002 local terms energy: -54.327278 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -15.316 flat angles C4'-P-C4' energy: -13.021 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -8.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -73.317113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.317113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.317113 (E_RNA) where: Base-Base interactions energy: -25.181 where: short stacking energy: -22.022 Base-Backbone interact. energy: -0.246 local terms energy: -47.890730 where: bonds (distance) C4'-P energy: -12.776 bonds (distance) P-C4' energy: -9.933 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -10.876 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: 9 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -162.720287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.720287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.720287 (E_RNA) where: Base-Base interactions energy: -102.099 where: short stacking energy: -45.209 Base-Backbone interact. energy: -0.162 local terms energy: -60.459655 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -11.785 tors. eta vs tors. theta energy: -6.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -163.004467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.004467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.004467 (E_RNA) where: Base-Base interactions energy: -94.110 where: short stacking energy: -57.068 Base-Backbone interact. energy: -0.188 local terms energy: -68.706128 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -13.227 flat angles P-C4'-P energy: -10.685 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: 3, replica: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -167.556214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.556214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.556214 (E_RNA) where: Base-Base interactions energy: -103.559 where: short stacking energy: -45.676 Base-Backbone interact. energy: -1.452 local terms energy: -62.544710 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -14.652 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -6.417 tors. eta vs tors. theta energy: -13.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -103.241669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.241669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.241669 (E_RNA) where: Base-Base interactions energy: -50.789 where: short stacking energy: -39.743 Base-Backbone interact. energy: -0.492 local terms energy: -51.960274 where: bonds (distance) C4'-P energy: -13.173 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -11.539 flat angles P-C4'-P energy: -6.950 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -124.863869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.863869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.863869 (E_RNA) where: Base-Base interactions energy: -68.435 where: short stacking energy: -42.592 Base-Backbone interact. energy: -0.274 local terms energy: -56.154999 where: bonds (distance) C4'-P energy: -14.818 bonds (distance) P-C4' energy: -11.666 flat angles C4'-P-C4' energy: -9.270 flat angles P-C4'-P energy: -9.752 tors. eta vs tors. theta energy: -10.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -85.764223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.764223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.764223 (E_RNA) where: Base-Base interactions energy: -33.588 where: short stacking energy: -32.597 Base-Backbone interact. energy: -0.023 local terms energy: -52.152490 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -14.322 flat angles C4'-P-C4' energy: -11.873 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -94.145596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.145596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.145596 (E_RNA) where: Base-Base interactions energy: -46.987 where: short stacking energy: -46.987 Base-Backbone interact. energy: -0.183 local terms energy: -46.975004 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -11.422 flat angles C4'-P-C4' energy: -9.118 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -8.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -80.280385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.280385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.280385 (E_RNA) where: Base-Base interactions energy: -37.736 where: short stacking energy: -28.597 Base-Backbone interact. energy: -0.060 local terms energy: -42.484876 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -12.751 flat angles C4'-P-C4' energy: -11.607 flat angles P-C4'-P energy: -1.480 tors. eta vs tors. theta energy: -2.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -69.922111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.922111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.922111 (E_RNA) where: Base-Base interactions energy: -30.129 where: short stacking energy: -28.268 Base-Backbone interact. energy: -0.090 local terms energy: -39.703304 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -10.015 flat angles C4'-P-C4' energy: -9.868 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -70.882865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.882865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.882865 (E_RNA) where: Base-Base interactions energy: -27.911 where: short stacking energy: -26.468 Base-Backbone interact. energy: 0.425 local terms energy: -43.396768 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -9.194 flat angles C4'-P-C4' energy: -9.511 flat angles P-C4'-P energy: -7.313 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -168.769893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.769893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.769893 (E_RNA) where: Base-Base interactions energy: -107.621 where: short stacking energy: -53.687 Base-Backbone interact. energy: -0.047 local terms energy: -61.101402 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -9.522 flat angles C4'-P-C4' energy: -15.996 flat angles P-C4'-P energy: -10.227 tors. eta vs tors. theta energy: -13.282 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: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -163.857960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.857960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.857960 (E_RNA) where: Base-Base interactions energy: -111.502 where: short stacking energy: -47.412 Base-Backbone interact. energy: -0.553 local terms energy: -51.803389 where: bonds (distance) C4'-P energy: -11.687 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -12.529 flat angles P-C4'-P energy: -7.736 tors. eta vs tors. theta energy: -10.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -154.713295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.713295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.713295 (E_RNA) where: Base-Base interactions energy: -97.095 where: short stacking energy: -42.900 Base-Backbone interact. energy: -0.082 local terms energy: -57.536826 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -14.715 flat angles P-C4'-P energy: -9.445 tors. eta vs tors. theta energy: -10.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -130.843567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.843567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.843567 (E_RNA) where: Base-Base interactions energy: -72.207 where: short stacking energy: -47.160 Base-Backbone interact. energy: 2.322 local terms energy: -60.959033 where: bonds (distance) C4'-P energy: -14.730 bonds (distance) P-C4' energy: -15.456 flat angles C4'-P-C4' energy: -10.992 flat angles P-C4'-P energy: -6.643 tors. eta vs tors. theta energy: -13.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -98.575530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.575530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.575530 (E_RNA) where: Base-Base interactions energy: -46.988 where: short stacking energy: -46.144 Base-Backbone interact. energy: -0.071 local terms energy: -51.516738 where: bonds (distance) C4'-P energy: -14.038 bonds (distance) P-C4' energy: -7.391 flat angles C4'-P-C4' energy: -12.929 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -9.858 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: 8 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -90.573444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.573444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.573444 (E_RNA) where: Base-Base interactions energy: -40.140 where: short stacking energy: -31.434 Base-Backbone interact. energy: -0.046 local terms energy: -50.387352 where: bonds (distance) C4'-P energy: -9.017 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -10.207 flat angles P-C4'-P energy: -10.658 tors. eta vs tors. theta energy: -5.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -91.234006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.234006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.234006 (E_RNA) where: Base-Base interactions energy: -44.376 where: short stacking energy: -28.394 Base-Backbone interact. energy: -0.391 local terms energy: -46.466849 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -80.579933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.579933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.579933 (E_RNA) where: Base-Base interactions energy: -29.824 where: short stacking energy: -25.034 Base-Backbone interact. energy: -0.410 local terms energy: -50.345978 where: bonds (distance) C4'-P energy: -14.585 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -4.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -84.104798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.104798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.104798 (E_RNA) where: Base-Base interactions energy: -39.031 where: short stacking energy: -21.967 Base-Backbone interact. energy: 0.449 local terms energy: -45.522153 where: bonds (distance) C4'-P energy: -10.646 bonds (distance) P-C4' energy: -12.642 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -5.062 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: 10, replica: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -66.591014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.591014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.591014 (E_RNA) where: Base-Base interactions energy: -16.345 where: short stacking energy: -15.851 Base-Backbone interact. energy: -0.125 local terms energy: -50.121681 where: bonds (distance) C4'-P energy: -16.275 bonds (distance) P-C4' energy: -13.601 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: 1.623 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: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -179.654501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.654501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.654501 (E_RNA) where: Base-Base interactions energy: -115.639 where: short stacking energy: -58.306 Base-Backbone interact. energy: 0.561 local terms energy: -64.577355 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -10.967 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -8.313 tors. eta vs tors. theta energy: -18.872 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: 2, replica: 9 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -163.780940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.780940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.780940 (E_RNA) where: Base-Base interactions energy: -89.864 where: short stacking energy: -58.841 Base-Backbone interact. energy: -0.003 local terms energy: -73.914331 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -10.778 tors. eta vs tors. theta energy: -17.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -154.216599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.216599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.216599 (E_RNA) where: Base-Base interactions energy: -96.506 where: short stacking energy: -43.339 Base-Backbone interact. energy: -0.021 local terms energy: -57.688969 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -9.343 tors. eta vs tors. theta energy: -10.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -157.068273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.068273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.068273 (E_RNA) where: Base-Base interactions energy: -91.637 where: short stacking energy: -54.343 Base-Backbone interact. energy: -0.018 local terms energy: -65.412929 where: bonds (distance) C4'-P energy: -11.493 bonds (distance) P-C4' energy: -9.489 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -11.523 tors. eta vs tors. theta energy: -17.252 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: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -118.106341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.106341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.106341 (E_RNA) where: Base-Base interactions energy: -59.967 where: short stacking energy: -34.064 Base-Backbone interact. energy: 1.417 local terms energy: -59.555400 where: bonds (distance) C4'-P energy: -15.049 bonds (distance) P-C4' energy: -14.046 flat angles C4'-P-C4' energy: -11.352 flat angles P-C4'-P energy: -9.631 tors. eta vs tors. theta energy: -9.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -91.797585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.797585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.797585 (E_RNA) where: Base-Base interactions energy: -37.269 where: short stacking energy: -28.395 Base-Backbone interact. energy: -0.102 local terms energy: -54.426843 where: bonds (distance) C4'-P energy: -10.776 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -10.507 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -79.455688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.455688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.455688 (E_RNA) where: Base-Base interactions energy: -35.407 where: short stacking energy: -25.623 Base-Backbone interact. energy: -1.371 local terms energy: -42.677635 where: bonds (distance) C4'-P energy: -9.465 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -6.348 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: 8, replica: 2 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -73.090961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.090961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.090961 (E_RNA) where: Base-Base interactions energy: -24.885 where: short stacking energy: -24.068 Base-Backbone interact. energy: 0.125 local terms energy: -48.330837 where: bonds (distance) C4'-P energy: -14.147 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -11.176 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: 9, replica: 5 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -84.168405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.168405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.168405 (E_RNA) where: Base-Base interactions energy: -36.654 where: short stacking energy: -30.262 Base-Backbone interact. energy: -0.016 local terms energy: -47.498545 where: bonds (distance) C4'-P energy: -9.163 bonds (distance) P-C4' energy: -11.172 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -6.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -68.023780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.023780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.023780 (E_RNA) where: Base-Base interactions energy: -22.929 where: short stacking energy: -22.929 Base-Backbone interact. energy: -0.136 local terms energy: -44.959039 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -11.866 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -180.790002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.790002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.790002 (E_RNA) where: Base-Base interactions energy: -111.751 where: short stacking energy: -55.420 Base-Backbone interact. energy: -0.417 local terms energy: -68.622252 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -13.734 flat angles C4'-P-C4' energy: -17.145 flat angles P-C4'-P energy: -9.291 tors. eta vs tors. theta energy: -15.633 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: 6 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -163.200383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.200383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.200383 (E_RNA) where: Base-Base interactions energy: -107.757 where: short stacking energy: -51.065 Base-Backbone interact. energy: -0.102 local terms energy: -55.342186 where: bonds (distance) C4'-P energy: -13.299 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -13.389 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: 9 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -150.534615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.534615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.534615 (E_RNA) where: Base-Base interactions energy: -91.670 where: short stacking energy: -39.665 Base-Backbone interact. energy: -0.663 local terms energy: -58.201454 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -7.579 tors. eta vs tors. theta energy: -9.732 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: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -165.395023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.395023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.395023 (E_RNA) where: Base-Base interactions energy: -109.965 where: short stacking energy: -52.742 Base-Backbone interact. energy: -0.487 local terms energy: -54.943529 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -9.813 flat angles C4'-P-C4' energy: -10.345 flat angles P-C4'-P energy: -8.423 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: 5, replica: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -142.811863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.811863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.811863 (E_RNA) where: Base-Base interactions energy: -80.287 where: short stacking energy: -40.488 Base-Backbone interact. energy: -0.321 local terms energy: -62.203443 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -15.058 flat angles C4'-P-C4' energy: -10.141 flat angles P-C4'-P energy: -8.377 tors. eta vs tors. theta energy: -15.122 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: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -109.937967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.937967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.937967 (E_RNA) where: Base-Base interactions energy: -59.155 where: short stacking energy: -33.393 Base-Backbone interact. energy: -0.170 local terms energy: -50.612472 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -9.946 flat angles C4'-P-C4' energy: -15.676 flat angles P-C4'-P energy: -6.857 tors. eta vs tors. theta energy: -7.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -84.987311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.987311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.987311 (E_RNA) where: Base-Base interactions energy: -34.638 where: short stacking energy: -32.881 Base-Backbone interact. energy: -0.159 local terms energy: -50.189914 where: bonds (distance) C4'-P energy: -14.138 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -13.275 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -6.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -100.129977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.129977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.129977 (E_RNA) where: Base-Base interactions energy: -60.433 where: short stacking energy: -23.537 Base-Backbone interact. energy: -0.218 local terms energy: -39.479197 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -9.015 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -2.649 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: 9, replica: 5 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -78.199453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.199453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.199453 (E_RNA) where: Base-Base interactions energy: -28.032 where: short stacking energy: -28.032 Base-Backbone interact. energy: -0.132 local terms energy: -50.035568 where: bonds (distance) C4'-P energy: -15.873 bonds (distance) P-C4' energy: -11.751 flat angles C4'-P-C4' energy: -9.458 flat angles P-C4'-P energy: -6.230 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: 17 Temperature: 1.350000 Total energy: -82.350552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.350552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.350552 (E_RNA) where: Base-Base interactions energy: -30.503 where: short stacking energy: -30.503 Base-Backbone interact. energy: -0.113 local terms energy: -51.734470 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -10.992 flat angles C4'-P-C4' energy: -13.602 flat angles P-C4'-P energy: -7.891 tors. eta vs tors. theta energy: -7.453 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: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -187.384660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.384660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.384660 (E_RNA) where: Base-Base interactions energy: -111.944 where: short stacking energy: -60.893 Base-Backbone interact. energy: -0.659 local terms energy: -74.781738 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -16.427 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -10.671 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: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -162.409643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.409643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.409643 (E_RNA) where: Base-Base interactions energy: -106.280 where: short stacking energy: -44.105 Base-Backbone interact. energy: -0.169 local terms energy: -55.960598 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -14.742 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -11.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -162.089139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.089139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.089139 (E_RNA) where: Base-Base interactions energy: -99.297 where: short stacking energy: -55.425 Base-Backbone interact. energy: -0.009 local terms energy: -62.782966 where: bonds (distance) C4'-P energy: -12.047 bonds (distance) P-C4' energy: -11.654 flat angles C4'-P-C4' energy: -11.815 flat angles P-C4'-P energy: -13.257 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: 4, replica: 9 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -142.557216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.557216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.557216 (E_RNA) where: Base-Base interactions energy: -85.071 where: short stacking energy: -43.111 Base-Backbone interact. energy: 0.828 local terms energy: -58.314902 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -14.037 flat angles P-C4'-P energy: -12.324 tors. eta vs tors. theta energy: -8.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -97.262972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.262972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.262972 (E_RNA) where: Base-Base interactions energy: -46.253 where: short stacking energy: -30.798 Base-Backbone interact. energy: -0.180 local terms energy: -50.829463 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -10.195 flat angles P-C4'-P energy: -8.695 tors. eta vs tors. theta energy: -5.373 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: 18 Temperature: 1.150000 Total energy: -146.281442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.281442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.281442 (E_RNA) where: Base-Base interactions energy: -86.285 where: short stacking energy: -40.024 Base-Backbone interact. energy: -0.101 local terms energy: -59.895184 where: bonds (distance) C4'-P energy: -12.652 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -13.350 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -11.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -107.252790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.252790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.252790 (E_RNA) where: Base-Base interactions energy: -58.416 where: short stacking energy: -32.638 Base-Backbone interact. energy: -0.473 local terms energy: -48.363750 where: bonds (distance) C4'-P energy: -10.327 bonds (distance) P-C4' energy: -11.198 flat angles C4'-P-C4' energy: -14.589 flat angles P-C4'-P energy: -7.173 tors. eta vs tors. theta energy: -5.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -70.468262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.468262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.468262 (E_RNA) where: Base-Base interactions energy: -34.413 where: short stacking energy: -34.413 Base-Backbone interact. energy: -0.013 local terms energy: -36.042464 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -9.896 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -81.790295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.790295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.790295 (E_RNA) where: Base-Base interactions energy: -37.938 where: short stacking energy: -29.348 Base-Backbone interact. energy: -0.040 local terms energy: -43.812266 where: bonds (distance) C4'-P energy: -10.705 bonds (distance) P-C4' energy: -8.922 flat angles C4'-P-C4' energy: -12.403 flat angles P-C4'-P energy: -7.758 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -79.391216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.391216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.391216 (E_RNA) where: Base-Base interactions energy: -22.576 where: short stacking energy: -22.576 Base-Backbone interact. energy: 0.415 local terms energy: -57.229989 where: bonds (distance) C4'-P energy: -15.413 bonds (distance) P-C4' energy: -11.320 flat angles C4'-P-C4' energy: -12.682 flat angles P-C4'-P energy: -9.154 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: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -184.052403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.052403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.052403 (E_RNA) where: Base-Base interactions energy: -108.464 where: short stacking energy: -49.730 Base-Backbone interact. energy: -0.193 local terms energy: -75.395574 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -16.530 flat angles P-C4'-P energy: -11.792 tors. eta vs tors. theta energy: -15.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -156.409350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.409350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.409350 (E_RNA) where: Base-Base interactions energy: -99.743 where: short stacking energy: -40.759 Base-Backbone interact. energy: -0.558 local terms energy: -56.108318 where: bonds (distance) C4'-P energy: -11.001 bonds (distance) P-C4' energy: -14.053 flat angles C4'-P-C4' energy: -9.252 flat angles P-C4'-P energy: -10.254 tors. eta vs tors. theta energy: -11.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -169.253757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.253757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.253757 (E_RNA) where: Base-Base interactions energy: -108.770 where: short stacking energy: -51.250 Base-Backbone interact. energy: -0.627 local terms energy: -59.856600 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -3.951 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: 4, replica: 9 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -140.011381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.011381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.011381 (E_RNA) where: Base-Base interactions energy: -80.208 where: short stacking energy: -50.717 Base-Backbone interact. energy: -0.294 local terms energy: -59.509609 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -11.138 flat angles C4'-P-C4' energy: -11.986 flat angles P-C4'-P energy: -11.073 tors. eta vs tors. theta energy: -12.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -95.526433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.526433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.526433 (E_RNA) where: Base-Base interactions energy: -40.296 where: short stacking energy: -31.158 Base-Backbone interact. energy: -1.477 local terms energy: -53.753442 where: bonds (distance) C4'-P energy: -12.653 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -10.292 tors. eta vs tors. theta energy: -6.311 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: 2 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -89.721423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.721423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.721423 (E_RNA) where: Base-Base interactions energy: -45.901 where: short stacking energy: -28.029 Base-Backbone interact. energy: -0.027 local terms energy: -43.793700 where: bonds (distance) C4'-P energy: -10.999 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -8.137 tors. eta vs tors. theta energy: -4.943 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: 8 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -129.399014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.399014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.399014 (E_RNA) where: Base-Base interactions energy: -74.160 where: short stacking energy: -40.772 Base-Backbone interact. energy: 0.342 local terms energy: -55.580706 where: bonds (distance) C4'-P energy: -9.775 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -8.688 tors. eta vs tors. theta energy: -10.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -74.475321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.475321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.475321 (E_RNA) where: Base-Base interactions energy: -29.186 where: short stacking energy: -19.790 Base-Backbone interact. energy: -0.239 local terms energy: -45.050172 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -80.670682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.670682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.670682 (E_RNA) where: Base-Base interactions energy: -23.023 where: short stacking energy: -21.616 Base-Backbone interact. energy: -0.010 local terms energy: -57.637506 where: bonds (distance) C4'-P energy: -14.930 bonds (distance) P-C4' energy: -15.819 flat angles C4'-P-C4' energy: -12.782 flat angles P-C4'-P energy: -11.245 tors. eta vs tors. theta energy: -2.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -76.861003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.861003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.861003 (E_RNA) where: Base-Base interactions energy: -25.917 where: short stacking energy: -25.229 Base-Backbone interact. energy: -0.009 local terms energy: -50.935532 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -11.730 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -11.961 tors. eta vs tors. theta energy: -6.126 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: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -181.431590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.431590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.431590 (E_RNA) where: Base-Base interactions energy: -115.514 where: short stacking energy: -56.425 Base-Backbone interact. energy: -0.353 local terms energy: -65.564072 where: bonds (distance) C4'-P energy: -14.337 bonds (distance) P-C4' energy: -13.731 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -10.644 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: 2, replica: 6 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -155.955234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.955234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.955234 (E_RNA) where: Base-Base interactions energy: -94.245 where: short stacking energy: -48.501 Base-Backbone interact. energy: 0.517 local terms energy: -62.227257 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -10.840 tors. eta vs tors. theta energy: -10.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -155.658521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.658521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.658521 (E_RNA) where: Base-Base interactions energy: -91.640 where: short stacking energy: -44.730 Base-Backbone interact. energy: -0.954 local terms energy: -63.064904 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -12.979 tors. eta vs tors. theta energy: -10.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -123.833469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.833469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.833469 (E_RNA) where: Base-Base interactions energy: -64.644 where: short stacking energy: -41.735 Base-Backbone interact. energy: -0.055 local terms energy: -59.135097 where: bonds (distance) C4'-P energy: -14.746 bonds (distance) P-C4' energy: -11.704 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -9.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -104.465111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.465111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.465111 (E_RNA) where: Base-Base interactions energy: -48.513 where: short stacking energy: -37.076 Base-Backbone interact. energy: -0.002 local terms energy: -55.950308 where: bonds (distance) C4'-P energy: -12.616 bonds (distance) P-C4' energy: -13.154 flat angles C4'-P-C4' energy: -14.356 flat angles P-C4'-P energy: -4.085 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: 6, replica: 4 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -95.605799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.605799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.605799 (E_RNA) where: Base-Base interactions energy: -45.130 where: short stacking energy: -33.025 Base-Backbone interact. energy: 1.350 local terms energy: -51.825049 where: bonds (distance) C4'-P energy: -14.250 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -11.864 flat angles P-C4'-P energy: -7.560 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -127.401752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.401752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.401752 (E_RNA) where: Base-Base interactions energy: -88.033 where: short stacking energy: -33.007 Base-Backbone interact. energy: 0.669 local terms energy: -40.037101 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -0.847 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -9.309 tors. eta vs tors. theta energy: -5.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -72.048034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.048034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.048034 (E_RNA) where: Base-Base interactions energy: -28.110 where: short stacking energy: -28.110 Base-Backbone interact. energy: -0.167 local terms energy: -43.771142 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -11.377 flat angles C4'-P-C4' energy: -12.588 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -70.291127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.291127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.291127 (E_RNA) where: Base-Base interactions energy: -27.350 where: short stacking energy: -23.343 Base-Backbone interact. energy: -0.225 local terms energy: -42.716222 where: bonds (distance) C4'-P energy: -10.603 bonds (distance) P-C4' energy: -13.203 flat angles C4'-P-C4' energy: -9.245 flat angles P-C4'-P energy: -7.229 tors. eta vs tors. theta energy: -2.437 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: 20 Temperature: 1.350000 Total energy: -62.357014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.357014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.357014 (E_RNA) where: Base-Base interactions energy: -20.448 where: short stacking energy: -19.270 Base-Backbone interact. energy: -0.033 local terms energy: -41.876106 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -10.330 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -0.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -184.643858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.643858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.643858 (E_RNA) where: Base-Base interactions energy: -119.643 where: short stacking energy: -49.474 Base-Backbone interact. energy: -0.426 local terms energy: -64.574546 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -16.936 flat angles P-C4'-P energy: -10.804 tors. eta vs tors. theta energy: -11.711 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: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -158.324561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.324561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.324561 (E_RNA) where: Base-Base interactions energy: -89.940 where: short stacking energy: -55.157 Base-Backbone interact. energy: -0.228 local terms energy: -68.157368 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -12.639 flat angles P-C4'-P energy: -10.579 tors. eta vs tors. theta energy: -16.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -173.392727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.392727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.392727 (E_RNA) where: Base-Base interactions energy: -108.416 where: short stacking energy: -44.705 Base-Backbone interact. energy: -1.012 local terms energy: -63.964663 where: bonds (distance) C4'-P energy: -11.041 bonds (distance) P-C4' energy: -14.500 flat angles C4'-P-C4' energy: -12.847 flat angles P-C4'-P energy: -12.133 tors. eta vs tors. theta energy: -13.443 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: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -115.217977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.217977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.217977 (E_RNA) where: Base-Base interactions energy: -62.258 where: short stacking energy: -36.921 Base-Backbone interact. energy: 0.755 local terms energy: -53.714726 where: bonds (distance) C4'-P energy: -15.632 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -8.204 tors. eta vs tors. theta energy: -6.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -94.513626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.513626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.513626 (E_RNA) where: Base-Base interactions energy: -36.470 where: short stacking energy: -36.470 Base-Backbone interact. energy: -0.007 local terms energy: -58.036321 where: bonds (distance) C4'-P energy: -12.003 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -14.695 flat angles P-C4'-P energy: -10.410 tors. eta vs tors. theta energy: -6.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -132.703589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.703589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.703589 (E_RNA) where: Base-Base interactions energy: -87.501 where: short stacking energy: -45.031 Base-Backbone interact. energy: -0.303 local terms energy: -44.898954 where: bonds (distance) C4'-P energy: -10.977 bonds (distance) P-C4' energy: -12.188 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -5.839 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -86.152885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.152885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.152885 (E_RNA) where: Base-Base interactions energy: -37.622 where: short stacking energy: -15.196 Base-Backbone interact. energy: 0.489 local terms energy: -49.019843 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -1.537 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: 5 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -73.051994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.051994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.051994 (E_RNA) where: Base-Base interactions energy: -28.569 where: short stacking energy: -28.569 Base-Backbone interact. energy: 2.689 local terms energy: -47.172723 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -6.330 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: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -76.040011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.040011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.040011 (E_RNA) where: Base-Base interactions energy: -34.596 where: short stacking energy: -18.330 Base-Backbone interact. energy: -0.071 local terms energy: -41.372942 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -9.277 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: 1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -81.709410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.709410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.709410 (E_RNA) where: Base-Base interactions energy: -47.542 where: short stacking energy: -14.215 Base-Backbone interact. energy: -0.495 local terms energy: -33.672776 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -11.404 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: 4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -188.090355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.090355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.090355 (E_RNA) where: Base-Base interactions energy: -128.370 where: short stacking energy: -44.297 Base-Backbone interact. energy: -0.650 local terms energy: -59.070257 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -14.061 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -8.261 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: 22 Temperature: 0.950000 Total energy: -150.356388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.356388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.356388 (E_RNA) where: Base-Base interactions energy: -86.349 where: short stacking energy: -51.850 Base-Backbone interact. energy: -0.006 local terms energy: -64.001323 where: bonds (distance) C4'-P energy: -10.531 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -15.785 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -14.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -172.039535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.039535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.039535 (E_RNA) where: Base-Base interactions energy: -112.408 where: short stacking energy: -50.941 Base-Backbone interact. energy: -0.156 local terms energy: -59.476465 where: bonds (distance) C4'-P energy: -16.275 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -6.639 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: 4, replica: 9 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -104.419284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.419284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.419284 (E_RNA) where: Base-Base interactions energy: -43.823 where: short stacking energy: -43.823 Base-Backbone interact. energy: -0.138 local terms energy: -60.457596 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -11.026 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: 5, replica: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -132.562607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.562607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.562607 (E_RNA) where: Base-Base interactions energy: -83.510 where: short stacking energy: -40.304 Base-Backbone interact. energy: -0.354 local terms energy: -48.699154 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -12.507 flat angles C4'-P-C4' energy: -10.889 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -7.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -84.416430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.416430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.416430 (E_RNA) where: Base-Base interactions energy: -47.995 where: short stacking energy: -27.964 Base-Backbone interact. energy: 0.547 local terms energy: -36.968539 where: bonds (distance) C4'-P energy: -4.591 bonds (distance) P-C4' energy: -15.198 flat angles C4'-P-C4' energy: -9.998 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -87.093161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.093161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.093161 (E_RNA) where: Base-Base interactions energy: -31.202 where: short stacking energy: -30.065 Base-Backbone interact. energy: -0.007 local terms energy: -55.884989 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -14.556 flat angles P-C4'-P energy: -6.190 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: 8, replica: 4 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -78.913028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.913028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.913028 (E_RNA) where: Base-Base interactions energy: -27.666 where: short stacking energy: -24.007 Base-Backbone interact. energy: 0.272 local terms energy: -51.519194 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -9.082 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -10.024 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: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -126.831213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.831213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.831213 (E_RNA) where: Base-Base interactions energy: -83.156 where: short stacking energy: -42.789 Base-Backbone interact. energy: -0.237 local terms energy: -43.437539 where: bonds (distance) C4'-P energy: -6.534 bonds (distance) P-C4' energy: -9.740 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -6.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -71.074661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.074661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.074661 (E_RNA) where: Base-Base interactions energy: -27.624 where: short stacking energy: -19.364 Base-Backbone interact. energy: -0.341 local terms energy: -43.109837 where: bonds (distance) C4'-P energy: -11.037 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -9.897 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -0.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -185.175018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.175018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.175018 (E_RNA) where: Base-Base interactions energy: -116.154 where: short stacking energy: -52.645 Base-Backbone interact. energy: -0.268 local terms energy: -68.752792 where: bonds (distance) C4'-P energy: -9.775 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -11.989 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: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -190.574065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.574065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.574065 (E_RNA) where: Base-Base interactions energy: -136.704 where: short stacking energy: -51.834 Base-Backbone interact. energy: -0.144 local terms energy: -53.725077 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -12.135 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -8.472 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: 6 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -153.497692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.497692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.497692 (E_RNA) where: Base-Base interactions energy: -91.062 where: short stacking energy: -43.195 Base-Backbone interact. energy: -0.096 local terms energy: -62.339175 where: bonds (distance) C4'-P energy: -16.299 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -13.099 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -12.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -104.537056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.537056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.537056 (E_RNA) where: Base-Base interactions energy: -55.356 where: short stacking energy: -38.543 Base-Backbone interact. energy: -0.058 local terms energy: -49.122814 where: bonds (distance) C4'-P energy: -11.786 bonds (distance) P-C4' energy: -10.828 flat angles C4'-P-C4' energy: -11.432 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -7.086 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: 8 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -99.173104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.173104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.173104 (E_RNA) where: Base-Base interactions energy: -48.001 where: short stacking energy: -22.677 Base-Backbone interact. energy: -0.784 local terms energy: -50.388391 where: bonds (distance) C4'-P energy: -9.526 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -13.461 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -5.303 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: 2 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -81.406091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.406091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.406091 (E_RNA) where: Base-Base interactions energy: -38.799 where: short stacking energy: -33.756 Base-Backbone interact. energy: -0.107 local terms energy: -42.499607 where: bonds (distance) C4'-P energy: -10.056 bonds (distance) P-C4' energy: -13.052 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -8.974 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: 7, replica: 5 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -82.122644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.122644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.122644 (E_RNA) where: Base-Base interactions energy: -26.078 where: short stacking energy: -18.203 Base-Backbone interact. energy: -0.148 local terms energy: -55.896767 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -11.944 flat angles P-C4'-P energy: -11.006 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: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -140.614931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.614931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.614931 (E_RNA) where: Base-Base interactions energy: -80.251 where: short stacking energy: -40.546 Base-Backbone interact. energy: 0.249 local terms energy: -60.612823 where: bonds (distance) C4'-P energy: -15.410 bonds (distance) P-C4' energy: -14.236 flat angles C4'-P-C4' energy: -9.937 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -16.133 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: 4 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -70.871789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.871789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.871789 (E_RNA) where: Base-Base interactions energy: -25.453 where: short stacking energy: -24.474 Base-Backbone interact. energy: -0.266 local terms energy: -45.152332 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -13.238 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -8.819 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -83.666162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.666162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.666162 (E_RNA) where: Base-Base interactions energy: -38.019 where: short stacking energy: -27.647 Base-Backbone interact. energy: -0.914 local terms energy: -44.733391 where: bonds (distance) C4'-P energy: -7.378 bonds (distance) P-C4' energy: -14.964 flat angles C4'-P-C4' energy: -11.014 flat angles P-C4'-P energy: -6.408 tors. eta vs tors. theta energy: -4.969 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: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -183.162311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.162311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.162311 (E_RNA) where: Base-Base interactions energy: -121.180 where: short stacking energy: -48.373 Base-Backbone interact. energy: -0.772 local terms energy: -61.210874 where: bonds (distance) C4'-P energy: -12.918 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -13.914 flat angles P-C4'-P energy: -8.844 tors. eta vs tors. theta energy: -12.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -173.276145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.276145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.276145 (E_RNA) where: Base-Base interactions energy: -110.420 where: short stacking energy: -47.743 Base-Backbone interact. energy: -0.736 local terms energy: -62.120270 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -13.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -158.913406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.913406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.913406 (E_RNA) where: Base-Base interactions energy: -100.635 where: short stacking energy: -37.359 Base-Backbone interact. energy: -0.769 local terms energy: -57.508870 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -8.982 tors. eta vs tors. theta energy: -7.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -98.050681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.050681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.050681 (E_RNA) where: Base-Base interactions energy: -56.044 where: short stacking energy: -32.237 Base-Backbone interact. energy: 0.304 local terms energy: -42.310514 where: bonds (distance) C4'-P energy: -10.147 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -86.991557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.991557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.991557 (E_RNA) where: Base-Base interactions energy: -31.699 where: short stacking energy: -30.541 Base-Backbone interact. energy: -0.183 local terms energy: -55.109681 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -9.637 flat angles P-C4'-P energy: -12.363 tors. eta vs tors. theta energy: -6.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -94.288766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.288766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.288766 (E_RNA) where: Base-Base interactions energy: -45.681 where: short stacking energy: -29.031 Base-Backbone interact. energy: 0.265 local terms energy: -48.872814 where: bonds (distance) C4'-P energy: -14.341 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -11.390 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -146.077470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.077470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.077470 (E_RNA) where: Base-Base interactions energy: -87.851 where: short stacking energy: -46.084 Base-Backbone interact. energy: 0.802 local terms energy: -59.028259 where: bonds (distance) C4'-P energy: -15.189 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -9.509 flat angles P-C4'-P energy: -7.769 tors. eta vs tors. theta energy: -12.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -79.769503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.769503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.769503 (E_RNA) where: Base-Base interactions energy: -26.650 where: short stacking energy: -26.650 Base-Backbone interact. energy: -0.009 local terms energy: -53.110623 where: bonds (distance) C4'-P energy: -14.370 bonds (distance) P-C4' energy: -14.257 flat angles C4'-P-C4' energy: -13.072 flat angles P-C4'-P energy: -7.352 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: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -76.528921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.528921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.528921 (E_RNA) where: Base-Base interactions energy: -32.296 where: short stacking energy: -14.731 Base-Backbone interact. energy: -0.171 local terms energy: -44.061389 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -6.880 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -11.680 tors. eta vs tors. theta energy: 1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -72.919466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.919466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.919466 (E_RNA) where: Base-Base interactions energy: -33.211 where: short stacking energy: -23.464 Base-Backbone interact. energy: -0.185 local terms energy: -39.523240 where: bonds (distance) C4'-P energy: -9.784 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -6.991 tors. eta vs tors. theta energy: -2.817 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: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -197.980103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.980103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.980103 (E_RNA) where: Base-Base interactions energy: -141.914 where: short stacking energy: -48.529 Base-Backbone interact. energy: 1.484 local terms energy: -57.549660 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -7.907 tors. eta vs tors. theta energy: -10.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -172.629924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.629924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.629924 (E_RNA) where: Base-Base interactions energy: -110.075 where: short stacking energy: -41.843 Base-Backbone interact. energy: -0.753 local terms energy: -61.801601 where: bonds (distance) C4'-P energy: -14.256 bonds (distance) P-C4' energy: -12.593 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -11.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -175.971663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.971663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.971663 (E_RNA) where: Base-Base interactions energy: -113.326 where: short stacking energy: -60.449 Base-Backbone interact. energy: -0.025 local terms energy: -62.620522 where: bonds (distance) C4'-P energy: -12.263 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -9.386 flat angles P-C4'-P energy: -9.529 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: 4, replica: 2 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -109.622955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.622955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.622955 (E_RNA) where: Base-Base interactions energy: -54.760 where: short stacking energy: -41.215 Base-Backbone interact. energy: -0.117 local terms energy: -54.745387 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -14.412 flat angles C4'-P-C4' energy: -11.799 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -10.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -96.003624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.003624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.003624 (E_RNA) where: Base-Base interactions energy: -43.716 where: short stacking energy: -25.099 Base-Backbone interact. energy: -0.157 local terms energy: -52.129958 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -11.077 flat angles P-C4'-P energy: -8.882 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -156.328710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.328710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.328710 (E_RNA) where: Base-Base interactions energy: -101.290 where: short stacking energy: -40.388 Base-Backbone interact. energy: -0.172 local terms energy: -54.865725 where: bonds (distance) C4'-P energy: -10.914 bonds (distance) P-C4' energy: -10.940 flat angles C4'-P-C4' energy: -11.879 flat angles P-C4'-P energy: -8.741 tors. eta vs tors. theta energy: -12.392 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: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -77.825930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.825930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.825930 (E_RNA) where: Base-Base interactions energy: -31.062 where: short stacking energy: -28.480 Base-Backbone interact. energy: -0.101 local terms energy: -46.663680 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -16.660 flat angles C4'-P-C4' energy: -10.756 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: 1.681 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: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -78.116472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.116472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.116472 (E_RNA) where: Base-Base interactions energy: -32.385 where: short stacking energy: -30.659 Base-Backbone interact. energy: -0.072 local terms energy: -45.660200 where: bonds (distance) C4'-P energy: -9.195 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -5.997 tors. eta vs tors. theta energy: -0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -72.837201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.837201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.837201 (E_RNA) where: Base-Base interactions energy: -31.889 where: short stacking energy: -24.662 Base-Backbone interact. energy: 0.332 local terms energy: -41.280766 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -9.815 flat angles C4'-P-C4' energy: -12.876 flat angles P-C4'-P energy: -8.283 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -77.925368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.925368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.925368 (E_RNA) where: Base-Base interactions energy: -40.762 where: short stacking energy: -27.280 Base-Backbone interact. energy: -0.413 local terms energy: -36.750195 where: bonds (distance) C4'-P energy: -10.194 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -12.598 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: 3.049 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: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -174.340037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.340037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.340037 (E_RNA) where: Base-Base interactions energy: -111.423 where: short stacking energy: -50.579 Base-Backbone interact. energy: -0.183 local terms energy: -62.733287 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -10.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -195.344529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.344529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.344529 (E_RNA) where: Base-Base interactions energy: -133.336 where: short stacking energy: -45.028 Base-Backbone interact. energy: -0.528 local terms energy: -61.480818 where: bonds (distance) C4'-P energy: -15.839 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -16.288 flat angles P-C4'-P energy: -10.435 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: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -174.978504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.978504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.978504 (E_RNA) where: Base-Base interactions energy: -109.593 where: short stacking energy: -51.902 Base-Backbone interact. energy: -0.620 local terms energy: -64.765431 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -16.610 flat angles C4'-P-C4' energy: -14.663 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -13.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -98.506044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.506044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.506044 (E_RNA) where: Base-Base interactions energy: -44.426 where: short stacking energy: -42.069 Base-Backbone interact. energy: 0.116 local terms energy: -54.195524 where: bonds (distance) C4'-P energy: -14.000 bonds (distance) P-C4' energy: -13.397 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -9.385 tors. eta vs tors. theta energy: -5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -169.273596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.273596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.273596 (E_RNA) where: Base-Base interactions energy: -111.697 where: short stacking energy: -53.314 Base-Backbone interact. energy: -0.246 local terms energy: -57.330476 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -10.132 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: 26 Temperature: 1.150000 Total energy: -97.978255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.978255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.978255 (E_RNA) where: Base-Base interactions energy: -46.017 where: short stacking energy: -44.299 Base-Backbone interact. energy: -0.118 local terms energy: -51.843938 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -11.220 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -10.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -80.667119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.667119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.667119 (E_RNA) where: Base-Base interactions energy: -37.772 where: short stacking energy: -34.590 Base-Backbone interact. energy: -0.436 local terms energy: -42.459200 where: bonds (distance) C4'-P energy: -12.622 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -3.172 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: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -75.949061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.949061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.949061 (E_RNA) where: Base-Base interactions energy: -25.126 where: short stacking energy: -24.261 Base-Backbone interact. energy: -0.136 local terms energy: -50.687032 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -5.761 tors. eta vs tors. theta energy: -5.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -81.282246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.282246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.282246 (E_RNA) where: Base-Base interactions energy: -34.271 where: short stacking energy: -25.031 Base-Backbone interact. energy: -0.083 local terms energy: -46.927923 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -15.533 flat angles C4'-P-C4' energy: -1.816 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -6.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -72.344559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.344559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.344559 (E_RNA) where: Base-Base interactions energy: -23.296 where: short stacking energy: -21.186 Base-Backbone interact. energy: -0.578 local terms energy: -48.471105 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -15.162 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: 1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -170.545139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.545139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.545139 (E_RNA) where: Base-Base interactions energy: -108.916 where: short stacking energy: -50.204 Base-Backbone interact. energy: -0.067 local terms energy: -61.561590 where: bonds (distance) C4'-P energy: -14.991 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -9.297 flat angles P-C4'-P energy: -8.511 tors. eta vs tors. theta energy: -13.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -181.937420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.937420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.937420 (E_RNA) where: Base-Base interactions energy: -123.258 where: short stacking energy: -43.315 Base-Backbone interact. energy: -1.072 local terms energy: -57.606916 where: bonds (distance) C4'-P energy: -15.641 bonds (distance) P-C4' energy: -14.634 flat angles C4'-P-C4' energy: -12.115 flat angles P-C4'-P energy: -8.529 tors. eta vs tors. theta energy: -6.687 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: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -167.423379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.423379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.423379 (E_RNA) where: Base-Base interactions energy: -110.387 where: short stacking energy: -52.663 Base-Backbone interact. energy: 3.857 local terms energy: -60.893373 where: bonds (distance) C4'-P energy: -13.829 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -8.667 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: 4, replica: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -164.452927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.452927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.452927 (E_RNA) where: Base-Base interactions energy: -95.002 where: short stacking energy: -54.662 Base-Backbone interact. energy: -0.041 local terms energy: -69.409632 where: bonds (distance) C4'-P energy: -14.025 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -9.861 tors. eta vs tors. theta energy: -16.438 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: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -126.798774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.798774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.798774 (E_RNA) where: Base-Base interactions energy: -69.208 where: short stacking energy: -40.799 Base-Backbone interact. energy: -0.005 local terms energy: -57.585163 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -11.054 flat angles C4'-P-C4' energy: -10.601 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -12.082 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: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -87.935887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.935887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.935887 (E_RNA) where: Base-Base interactions energy: -50.205 where: short stacking energy: -12.826 Base-Backbone interact. energy: 1.243 local terms energy: -38.973641 where: bonds (distance) C4'-P energy: -10.262 bonds (distance) P-C4' energy: -10.967 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -11.288 tors. eta vs tors. theta energy: 0.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -79.050053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.050053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.050053 (E_RNA) where: Base-Base interactions energy: -32.784 where: short stacking energy: -22.080 Base-Backbone interact. energy: -0.509 local terms energy: -45.757388 where: bonds (distance) C4'-P energy: -14.197 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -78.981558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.981558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.981558 (E_RNA) where: Base-Base interactions energy: -26.625 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.196 local terms energy: -52.160789 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -9.094 tors. eta vs tors. theta energy: -4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -67.592008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.592008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.592008 (E_RNA) where: Base-Base interactions energy: -27.577 where: short stacking energy: -27.577 Base-Backbone interact. energy: -0.125 local terms energy: -39.890605 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -9.350 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -5.240 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: 4 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -69.921355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.921355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.921355 (E_RNA) where: Base-Base interactions energy: -20.398 where: short stacking energy: -20.355 Base-Backbone interact. energy: -0.127 local terms energy: -49.396648 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -15.593 flat angles C4'-P-C4' energy: -13.267 flat angles P-C4'-P energy: -8.357 tors. eta vs tors. theta energy: 0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -200.996094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.996094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.996094 (E_RNA) where: Base-Base interactions energy: -142.458 where: short stacking energy: -47.189 Base-Backbone interact. energy: -0.327 local terms energy: -58.211082 where: bonds (distance) C4'-P energy: -13.172 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -14.342 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -8.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -159.720073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.720073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.720073 (E_RNA) where: Base-Base interactions energy: -97.014 where: short stacking energy: -53.687 Base-Backbone interact. energy: -0.022 local terms energy: -62.684178 where: bonds (distance) C4'-P energy: -12.660 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -9.953 tors. eta vs tors. theta energy: -14.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -181.755429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.755429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.755429 (E_RNA) where: Base-Base interactions energy: -131.457 where: short stacking energy: -48.809 Base-Backbone interact. energy: -0.285 local terms energy: -50.013242 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -10.366 flat angles C4'-P-C4' energy: -13.202 flat angles P-C4'-P energy: -1.368 tors. eta vs tors. theta energy: -11.849 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: 7 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -172.136336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.136336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.136336 (E_RNA) where: Base-Base interactions energy: -108.034 where: short stacking energy: -51.143 Base-Backbone interact. energy: -0.011 local terms energy: -64.091145 where: bonds (distance) C4'-P energy: -14.192 bonds (distance) P-C4' energy: -14.436 flat angles C4'-P-C4' energy: -12.306 flat angles P-C4'-P energy: -10.139 tors. eta vs tors. theta energy: -13.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -136.699734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.699734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.699734 (E_RNA) where: Base-Base interactions energy: -82.543 where: short stacking energy: -36.705 Base-Backbone interact. energy: -1.243 local terms energy: -52.913372 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -12.531 flat angles C4'-P-C4' energy: -15.832 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -89.703569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.703569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.703569 (E_RNA) where: Base-Base interactions energy: -42.003 where: short stacking energy: -20.578 Base-Backbone interact. energy: -0.222 local terms energy: -47.478982 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -5.567 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: 7, replica: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -91.686441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.686441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.686441 (E_RNA) where: Base-Base interactions energy: -41.136 where: short stacking energy: -41.136 Base-Backbone interact. energy: -0.021 local terms energy: -50.529171 where: bonds (distance) C4'-P energy: -13.061 bonds (distance) P-C4' energy: -11.298 flat angles C4'-P-C4' energy: -11.349 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -11.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -94.840164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.840164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.840164 (E_RNA) where: Base-Base interactions energy: -43.943 where: short stacking energy: -32.952 Base-Backbone interact. energy: -0.327 local terms energy: -50.569933 where: bonds (distance) C4'-P energy: -11.270 bonds (distance) P-C4' energy: -14.018 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -5.218 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: 4 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -77.616115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.616115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.616115 (E_RNA) where: Base-Base interactions energy: -37.546 where: short stacking energy: -18.678 Base-Backbone interact. energy: -0.219 local terms energy: -39.851178 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -11.566 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -1.238 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: 5 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -65.900994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.900994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.900994 (E_RNA) where: Base-Base interactions energy: -20.387 where: short stacking energy: -20.387 Base-Backbone interact. energy: -0.169 local terms energy: -45.344835 where: bonds (distance) C4'-P energy: -11.070 bonds (distance) P-C4' energy: -14.546 flat angles C4'-P-C4' energy: -10.660 flat angles P-C4'-P energy: -7.185 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: 1, replica: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -188.357364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.357364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.357364 (E_RNA) where: Base-Base interactions energy: -130.206 where: short stacking energy: -54.155 Base-Backbone interact. energy: -0.293 local terms energy: -57.858437 where: bonds (distance) C4'-P energy: -8.720 bonds (distance) P-C4' energy: -12.994 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -11.916 tors. eta vs tors. theta energy: -11.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -184.147611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.147611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.147611 (E_RNA) where: Base-Base interactions energy: -126.758 where: short stacking energy: -52.093 Base-Backbone interact. energy: -1.124 local terms energy: -56.266407 where: bonds (distance) C4'-P energy: -14.221 bonds (distance) P-C4' energy: -16.126 flat angles C4'-P-C4' energy: -10.390 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -10.471 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: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -150.488421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.488421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.488421 (E_RNA) where: Base-Base interactions energy: -92.052 where: short stacking energy: -44.247 Base-Backbone interact. energy: -0.177 local terms energy: -58.259696 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -14.932 flat angles P-C4'-P energy: -1.670 tors. eta vs tors. theta energy: -12.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -142.811875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.811875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.811875 (E_RNA) where: Base-Base interactions energy: -93.386 where: short stacking energy: -45.160 Base-Backbone interact. energy: -0.178 local terms energy: -49.246989 where: bonds (distance) C4'-P energy: -10.983 bonds (distance) P-C4' energy: -11.732 flat angles C4'-P-C4' energy: -12.442 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -10.032 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: 7 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -150.364635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.364635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.364635 (E_RNA) where: Base-Base interactions energy: -93.127 where: short stacking energy: -39.859 Base-Backbone interact. energy: -0.695 local terms energy: -56.542469 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -8.360 tors. eta vs tors. theta energy: -9.953 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: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -106.062400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.062400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.062400 (E_RNA) where: Base-Base interactions energy: -51.596 where: short stacking energy: -49.866 Base-Backbone interact. energy: -0.003 local terms energy: -54.463694 where: bonds (distance) C4'-P energy: -10.566 bonds (distance) P-C4' energy: -11.973 flat angles C4'-P-C4' energy: -14.022 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -12.424 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: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -91.264058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.264058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.264058 (E_RNA) where: Base-Base interactions energy: -39.291 where: short stacking energy: -36.649 Base-Backbone interact. energy: -0.471 local terms energy: -51.502081 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -11.518 flat angles C4'-P-C4' energy: -14.001 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -5.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -84.985170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.985170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.985170 (E_RNA) where: Base-Base interactions energy: -36.117 where: short stacking energy: -24.877 Base-Backbone interact. energy: -0.432 local terms energy: -48.436383 where: bonds (distance) C4'-P energy: -14.598 bonds (distance) P-C4' energy: -9.949 flat angles C4'-P-C4' energy: -11.455 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -5.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -76.816223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.816223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.816223 (E_RNA) where: Base-Base interactions energy: -34.082 where: short stacking energy: -29.759 Base-Backbone interact. energy: -0.036 local terms energy: -42.698286 where: bonds (distance) C4'-P energy: -8.450 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -93.887250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.887250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.887250 (E_RNA) where: Base-Base interactions energy: -49.474 where: short stacking energy: -30.264 Base-Backbone interact. energy: -0.013 local terms energy: -44.399817 where: bonds (distance) C4'-P energy: -10.736 bonds (distance) P-C4' energy: -12.485 flat angles C4'-P-C4' energy: -12.364 flat angles P-C4'-P energy: -7.547 tors. eta vs tors. theta energy: -1.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -182.454144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.454144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.454144 (E_RNA) where: Base-Base interactions energy: -120.453 where: short stacking energy: -55.403 Base-Backbone interact. energy: -0.411 local terms energy: -61.590835 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -12.626 flat angles C4'-P-C4' energy: -10.774 flat angles P-C4'-P energy: -10.682 tors. eta vs tors. theta energy: -15.044 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: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -185.843910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.843910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.843910 (E_RNA) where: Base-Base interactions energy: -126.233 where: short stacking energy: -53.108 Base-Backbone interact. energy: -1.302 local terms energy: -58.309455 where: bonds (distance) C4'-P energy: -14.499 bonds (distance) P-C4' energy: -13.083 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -12.451 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: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -144.668356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.668356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.668356 (E_RNA) where: Base-Base interactions energy: -82.425 where: short stacking energy: -40.148 Base-Backbone interact. energy: -0.488 local terms energy: -61.755606 where: bonds (distance) C4'-P energy: -14.610 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -14.575 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -10.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -140.596300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.596300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.596300 (E_RNA) where: Base-Base interactions energy: -87.820 where: short stacking energy: -46.131 Base-Backbone interact. energy: 0.572 local terms energy: -53.347424 where: bonds (distance) C4'-P energy: -11.224 bonds (distance) P-C4' energy: -13.732 flat angles C4'-P-C4' energy: -9.435 flat angles P-C4'-P energy: -9.802 tors. eta vs tors. theta energy: -9.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -157.886807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.886807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.886807 (E_RNA) where: Base-Base interactions energy: -96.588 where: short stacking energy: -46.512 Base-Backbone interact. energy: -0.359 local terms energy: -60.939954 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -14.090 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -12.748 tors. eta vs tors. theta energy: -8.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -94.449784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.449784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.449784 (E_RNA) where: Base-Base interactions energy: -36.395 where: short stacking energy: -25.140 Base-Backbone interact. energy: -0.043 local terms energy: -58.011756 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -14.865 flat angles P-C4'-P energy: -7.605 tors. eta vs tors. theta energy: -6.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -87.277717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.277717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.277717 (E_RNA) where: Base-Base interactions energy: -38.066 where: short stacking energy: -22.157 Base-Backbone interact. energy: -0.344 local terms energy: -48.867879 where: bonds (distance) C4'-P energy: -14.825 bonds (distance) P-C4' energy: -10.983 flat angles C4'-P-C4' energy: -11.349 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -7.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -75.769046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.769046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.769046 (E_RNA) where: Base-Base interactions energy: -39.019 where: short stacking energy: -21.951 Base-Backbone interact. energy: 1.251 local terms energy: -38.000889 where: bonds (distance) C4'-P energy: -8.793 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: 1.552 tors. eta vs tors. theta energy: -5.258 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: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -73.797707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.797707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.797707 (E_RNA) where: Base-Base interactions energy: -31.132 where: short stacking energy: -18.556 Base-Backbone interact. energy: -0.368 local terms energy: -42.297136 where: bonds (distance) C4'-P energy: -12.002 bonds (distance) P-C4' energy: -11.028 flat angles C4'-P-C4' energy: -13.897 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: 2.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -78.072645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.072645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.072645 (E_RNA) where: Base-Base interactions energy: -33.746 where: short stacking energy: -33.746 Base-Backbone interact. energy: -0.078 local terms energy: -44.248644 where: bonds (distance) C4'-P energy: -10.318 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -9.026 tors. eta vs tors. theta energy: -5.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -187.469937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.469937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.469937 (E_RNA) where: Base-Base interactions energy: -118.490 where: short stacking energy: -61.110 Base-Backbone interact. energy: -0.090 local terms energy: -68.889777 where: bonds (distance) C4'-P energy: -14.375 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -15.047 flat angles P-C4'-P energy: -6.601 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: 2, replica: 1 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -180.069733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.069733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.069733 (E_RNA) where: Base-Base interactions energy: -116.198 where: short stacking energy: -53.997 Base-Backbone interact. energy: -0.740 local terms energy: -63.132487 where: bonds (distance) C4'-P energy: -13.770 bonds (distance) P-C4' energy: -15.426 flat angles C4'-P-C4' energy: -11.898 flat angles P-C4'-P energy: -7.418 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: 3, replica: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -141.650812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.650812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.650812 (E_RNA) where: Base-Base interactions energy: -84.545 where: short stacking energy: -47.105 Base-Backbone interact. energy: -1.063 local terms energy: -56.042671 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -11.021 flat angles C4'-P-C4' energy: -14.887 flat angles P-C4'-P energy: -8.434 tors. eta vs tors. theta energy: -7.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -149.387287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.387287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.387287 (E_RNA) where: Base-Base interactions energy: -98.728 where: short stacking energy: -31.981 Base-Backbone interact. energy: 0.760 local terms energy: -51.420113 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -11.956 flat angles C4'-P-C4' energy: -12.811 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -5.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -170.034443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.034443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.034443 (E_RNA) where: Base-Base interactions energy: -114.019 where: short stacking energy: -47.631 Base-Backbone interact. energy: 0.277 local terms energy: -56.293024 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -87.198895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.198895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.198895 (E_RNA) where: Base-Base interactions energy: -38.635 where: short stacking energy: -37.899 Base-Backbone interact. energy: -0.066 local terms energy: -48.497904 where: bonds (distance) C4'-P energy: -11.517 bonds (distance) P-C4' energy: -13.796 flat angles C4'-P-C4' energy: -11.078 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -7.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -85.326398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.326398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.326398 (E_RNA) where: Base-Base interactions energy: -37.687 where: short stacking energy: -30.837 Base-Backbone interact. energy: -0.116 local terms energy: -47.523075 where: bonds (distance) C4'-P energy: -3.332 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -13.390 flat angles P-C4'-P energy: -8.025 tors. eta vs tors. theta energy: -7.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -91.016851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.016851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.016851 (E_RNA) where: Base-Base interactions energy: -50.043 where: short stacking energy: -25.483 Base-Backbone interact. energy: -0.195 local terms energy: -40.779101 where: bonds (distance) C4'-P energy: -9.013 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -8.480 tors. eta vs tors. theta energy: 3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -77.277055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.277055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.277055 (E_RNA) where: Base-Base interactions energy: -22.713 where: short stacking energy: -21.214 Base-Backbone interact. energy: -0.320 local terms energy: -54.244668 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -8.257 tors. eta vs tors. theta energy: -6.934 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: 10, replica: 4 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -68.341623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.341623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.341623 (E_RNA) where: Base-Base interactions energy: -21.311 where: short stacking energy: -21.261 Base-Backbone interact. energy: -0.034 local terms energy: -46.996775 where: bonds (distance) C4'-P energy: -8.768 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -9.089 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -6.231 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: 1 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -180.592324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.592324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.592324 (E_RNA) where: Base-Base interactions energy: -109.929 where: short stacking energy: -53.969 Base-Backbone interact. energy: -0.266 local terms energy: -70.397024 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -14.294 flat angles C4'-P-C4' energy: -13.369 flat angles P-C4'-P energy: -11.012 tors. eta vs tors. theta energy: -17.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -177.982958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.982958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.982958 (E_RNA) where: Base-Base interactions energy: -107.999 where: short stacking energy: -51.903 Base-Backbone interact. energy: -0.033 local terms energy: -69.950521 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -14.647 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -9.340 tors. eta vs tors. theta energy: -16.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -154.981032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.981032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.981032 (E_RNA) where: Base-Base interactions energy: -88.615 where: short stacking energy: -52.562 Base-Backbone interact. energy: -0.238 local terms energy: -66.128262 where: bonds (distance) C4'-P energy: -16.601 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -14.906 flat angles P-C4'-P energy: -7.851 tors. eta vs tors. theta energy: -13.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -142.244424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.244424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.244424 (E_RNA) where: Base-Base interactions energy: -88.881 where: short stacking energy: -35.743 Base-Backbone interact. energy: -0.350 local terms energy: -53.014167 where: bonds (distance) C4'-P energy: -12.102 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -8.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -141.811516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.811516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.811516 (E_RNA) where: Base-Base interactions energy: -95.457 where: short stacking energy: -38.963 Base-Backbone interact. energy: -0.316 local terms energy: -46.038374 where: bonds (distance) C4'-P energy: -10.906 bonds (distance) P-C4' energy: -12.093 flat angles C4'-P-C4' energy: -10.494 flat angles P-C4'-P energy: -9.652 tors. eta vs tors. theta energy: -2.893 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: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -90.724487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.724487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.724487 (E_RNA) where: Base-Base interactions energy: -33.758 where: short stacking energy: -33.499 Base-Backbone interact. energy: -0.003 local terms energy: -56.963925 where: bonds (distance) C4'-P energy: -10.525 bonds (distance) P-C4' energy: -15.120 flat angles C4'-P-C4' energy: -14.167 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -10.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -87.829342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.829342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.829342 (E_RNA) where: Base-Base interactions energy: -32.813 where: short stacking energy: -32.813 Base-Backbone interact. energy: -0.086 local terms energy: -54.930352 where: bonds (distance) C4'-P energy: -11.724 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -14.996 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -7.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -80.038868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.038868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.038868 (E_RNA) where: Base-Base interactions energy: -33.020 where: short stacking energy: -30.841 Base-Backbone interact. energy: -0.069 local terms energy: -46.949746 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -9.667 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -6.394 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: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -83.738640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.738640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.738640 (E_RNA) where: Base-Base interactions energy: -35.080 where: short stacking energy: -33.457 Base-Backbone interact. energy: -0.020 local terms energy: -48.638614 where: bonds (distance) C4'-P energy: -13.359 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -11.711 flat angles P-C4'-P energy: -7.579 tors. eta vs tors. theta energy: -8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -73.657345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.657345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.657345 (E_RNA) where: Base-Base interactions energy: -29.737 where: short stacking energy: -29.737 Base-Backbone interact. energy: -0.015 local terms energy: -43.906254 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -7.543 flat angles C4'-P-C4' energy: -9.076 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -9.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -184.402319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.402319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.402319 (E_RNA) where: Base-Base interactions energy: -117.591 where: short stacking energy: -64.540 Base-Backbone interact. energy: -0.000 local terms energy: -66.811221 where: bonds (distance) C4'-P energy: -12.970 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -7.568 tors. eta vs tors. theta energy: -19.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -179.431933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.431933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.431933 (E_RNA) where: Base-Base interactions energy: -120.973 where: short stacking energy: -47.388 Base-Backbone interact. energy: -0.852 local terms energy: -57.607177 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -14.025 flat angles C4'-P-C4' energy: -12.015 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: -11.310 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: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -151.126896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.126896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.126896 (E_RNA) where: Base-Base interactions energy: -87.392 where: short stacking energy: -49.549 Base-Backbone interact. energy: -0.242 local terms energy: -63.492654 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -8.899 tors. eta vs tors. theta energy: -12.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -151.688380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.688380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.688380 (E_RNA) where: Base-Base interactions energy: -100.822 where: short stacking energy: -36.877 Base-Backbone interact. energy: -0.250 local terms energy: -50.616828 where: bonds (distance) C4'-P energy: -10.780 bonds (distance) P-C4' energy: -14.533 flat angles C4'-P-C4' energy: -11.321 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -7.647 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: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -134.839645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.839645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.839645 (E_RNA) where: Base-Base interactions energy: -80.648 where: short stacking energy: -49.739 Base-Backbone interact. energy: -0.276 local terms energy: -53.914962 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -10.954 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -12.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -93.620658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.620658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.620658 (E_RNA) where: Base-Base interactions energy: -36.522 where: short stacking energy: -36.356 Base-Backbone interact. energy: -0.063 local terms energy: -57.035388 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -11.605 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -10.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -85.571904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.571904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.571904 (E_RNA) where: Base-Base interactions energy: -36.417 where: short stacking energy: -36.417 Base-Backbone interact. energy: -0.001 local terms energy: -49.153620 where: bonds (distance) C4'-P energy: -9.577 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -10.097 flat angles P-C4'-P energy: -7.923 tors. eta vs tors. theta energy: -8.229 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: 4 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -81.598701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.598701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.598701 (E_RNA) where: Base-Base interactions energy: -29.658 where: short stacking energy: -29.658 Base-Backbone interact. energy: -0.000 local terms energy: -51.940242 where: bonds (distance) C4'-P energy: -9.854 bonds (distance) P-C4' energy: -14.332 flat angles C4'-P-C4' energy: -11.572 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -10.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -72.173033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.173033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.173033 (E_RNA) where: Base-Base interactions energy: -22.741 where: short stacking energy: -22.741 Base-Backbone interact. energy: -0.020 local terms energy: -49.411445 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -10.127 flat angles C4'-P-C4' energy: -9.216 flat angles P-C4'-P energy: -11.918 tors. eta vs tors. theta energy: -4.212 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: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -71.000828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.000828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.000828 (E_RNA) where: Base-Base interactions energy: -21.151 where: short stacking energy: -19.300 Base-Backbone interact. energy: -0.204 local terms energy: -49.646460 where: bonds (distance) C4'-P energy: -11.456 bonds (distance) P-C4' energy: -15.739 flat angles C4'-P-C4' energy: -11.371 flat angles P-C4'-P energy: -8.700 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -178.538564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.538564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.538564 (E_RNA) where: Base-Base interactions energy: -114.729 where: short stacking energy: -57.578 Base-Backbone interact. energy: -0.003 local terms energy: -63.806856 where: bonds (distance) C4'-P energy: -11.584 bonds (distance) P-C4' energy: -11.389 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -11.766 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: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -175.612546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.612546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.612546 (E_RNA) where: Base-Base interactions energy: -111.433 where: short stacking energy: -53.231 Base-Backbone interact. energy: -0.129 local terms energy: -64.050933 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -13.798 flat angles C4'-P-C4' energy: -12.529 flat angles P-C4'-P energy: -6.223 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: 3, replica: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -172.226829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.226829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.226829 (E_RNA) where: Base-Base interactions energy: -108.746 where: short stacking energy: -51.123 Base-Backbone interact. energy: -0.030 local terms energy: -63.451171 where: bonds (distance) C4'-P energy: -14.933 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -15.262 flat angles P-C4'-P energy: -7.608 tors. eta vs tors. theta energy: -11.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -139.589485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.589485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.589485 (E_RNA) where: Base-Base interactions energy: -78.943 where: short stacking energy: -37.549 Base-Backbone interact. energy: -0.053 local terms energy: -60.594156 where: bonds (distance) C4'-P energy: -12.102 bonds (distance) P-C4' energy: -17.084 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -10.233 tors. eta vs tors. theta energy: -8.337 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: 5, replica: 6 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -161.138075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.138075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.138075 (E_RNA) where: Base-Base interactions energy: -107.892 where: short stacking energy: -48.538 Base-Backbone interact. energy: 0.090 local terms energy: -53.336327 where: bonds (distance) C4'-P energy: -13.389 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -12.142 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -11.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -100.886685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.886685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.886685 (E_RNA) where: Base-Base interactions energy: -40.534 where: short stacking energy: -33.596 Base-Backbone interact. energy: 0.649 local terms energy: -61.001450 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -10.544 tors. eta vs tors. theta energy: -9.856 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: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -80.341016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.341016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.341016 (E_RNA) where: Base-Base interactions energy: -29.407 where: short stacking energy: -29.407 Base-Backbone interact. energy: -0.008 local terms energy: -50.925638 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -9.333 tors. eta vs tors. theta energy: -1.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -83.951165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.951165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.951165 (E_RNA) where: Base-Base interactions energy: -35.214 where: short stacking energy: -22.332 Base-Backbone interact. energy: -0.072 local terms energy: -48.665420 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -10.825 flat angles C4'-P-C4' energy: -12.184 flat angles P-C4'-P energy: -10.591 tors. eta vs tors. theta energy: -2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -81.460666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.460666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.460666 (E_RNA) where: Base-Base interactions energy: -39.944 where: short stacking energy: -27.208 Base-Backbone interact. energy: -0.079 local terms energy: -41.437414 where: bonds (distance) C4'-P energy: -11.179 bonds (distance) P-C4' energy: -6.416 flat angles C4'-P-C4' energy: -11.494 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -7.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -76.326373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.326373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.326373 (E_RNA) where: Base-Base interactions energy: -35.563 where: short stacking energy: -31.588 Base-Backbone interact. energy: -0.621 local terms energy: -40.142246 where: bonds (distance) C4'-P energy: -8.331 bonds (distance) P-C4' energy: -11.687 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -177.379937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.379937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.379937 (E_RNA) where: Base-Base interactions energy: -103.788 where: short stacking energy: -59.605 Base-Backbone interact. energy: -0.004 local terms energy: -73.587529 where: bonds (distance) C4'-P energy: -14.987 bonds (distance) P-C4' energy: -16.309 flat angles C4'-P-C4' energy: -15.655 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -17.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -182.227603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.227603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.227603 (E_RNA) where: Base-Base interactions energy: -112.184 where: short stacking energy: -51.063 Base-Backbone interact. energy: -2.312 local terms energy: -67.731641 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -13.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -171.864941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.864941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.864941 (E_RNA) where: Base-Base interactions energy: -104.148 where: short stacking energy: -52.971 Base-Backbone interact. energy: -1.528 local terms energy: -66.188848 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -12.084 flat angles C4'-P-C4' energy: -15.802 flat angles P-C4'-P energy: -7.585 tors. eta vs tors. theta energy: -16.619 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: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -150.067349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.067349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.067349 (E_RNA) where: Base-Base interactions energy: -91.955 where: short stacking energy: -51.054 Base-Backbone interact. energy: -0.091 local terms energy: -58.021632 where: bonds (distance) C4'-P energy: -11.964 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -13.110 flat angles P-C4'-P energy: -9.964 tors. eta vs tors. theta energy: -9.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -137.143562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.143562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.143562 (E_RNA) where: Base-Base interactions energy: -83.410 where: short stacking energy: -48.192 Base-Backbone interact. energy: 0.343 local terms energy: -54.076286 where: bonds (distance) C4'-P energy: -12.656 bonds (distance) P-C4' energy: -13.411 flat angles C4'-P-C4' energy: -11.779 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -11.222 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: 4 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -88.410652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.410652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.410652 (E_RNA) where: Base-Base interactions energy: -38.564 where: short stacking energy: -36.838 Base-Backbone interact. energy: -0.010 local terms energy: -49.837194 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -10.265 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -7.247 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: 5 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -91.687269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.687269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.687269 (E_RNA) where: Base-Base interactions energy: -37.003 where: short stacking energy: -32.040 Base-Backbone interact. energy: -0.011 local terms energy: -54.673803 where: bonds (distance) C4'-P energy: -12.718 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -8.460 flat angles P-C4'-P energy: -9.168 tors. eta vs tors. theta energy: -8.798 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: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -78.999785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.999785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.999785 (E_RNA) where: Base-Base interactions energy: -32.674 where: short stacking energy: -22.371 Base-Backbone interact. energy: -0.190 local terms energy: -46.135288 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -13.521 flat angles C4'-P-C4' energy: -13.069 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: -2.238 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: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -71.331710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.331710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.331710 (E_RNA) where: Base-Base interactions energy: -20.700 where: short stacking energy: -20.305 Base-Backbone interact. energy: -0.037 local terms energy: -50.594805 where: bonds (distance) C4'-P energy: -15.802 bonds (distance) P-C4' energy: -17.126 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -66.488220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.488220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.488220 (E_RNA) where: Base-Base interactions energy: -20.821 where: short stacking energy: -20.821 Base-Backbone interact. energy: -0.102 local terms energy: -45.564957 where: bonds (distance) C4'-P energy: -11.813 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -7.771 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: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -191.977185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.977185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.977185 (E_RNA) where: Base-Base interactions energy: -123.608 where: short stacking energy: -56.087 Base-Backbone interact. energy: -0.068 local terms energy: -68.301604 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -14.943 flat angles P-C4'-P energy: -7.415 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: 2, replica: 1 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -170.204692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.204692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.204692 (E_RNA) where: Base-Base interactions energy: -105.850 where: short stacking energy: -49.797 Base-Backbone interact. energy: -0.383 local terms energy: -63.971652 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -15.858 flat angles C4'-P-C4' energy: -13.857 flat angles P-C4'-P energy: -8.462 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: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -184.694741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.694741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.694741 (E_RNA) where: Base-Base interactions energy: -121.849 where: short stacking energy: -55.854 Base-Backbone interact. energy: -1.105 local terms energy: -61.740238 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -14.567 flat angles P-C4'-P energy: -6.837 tors. eta vs tors. theta energy: -15.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -161.707119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.707119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.707119 (E_RNA) where: Base-Base interactions energy: -97.489 where: short stacking energy: -52.363 Base-Backbone interact. energy: -0.444 local terms energy: -63.774027 where: bonds (distance) C4'-P energy: -12.623 bonds (distance) P-C4' energy: -12.833 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -8.878 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: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -138.259208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.259208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.259208 (E_RNA) where: Base-Base interactions energy: -86.478 where: short stacking energy: -41.838 Base-Backbone interact. energy: 0.722 local terms energy: -52.503631 where: bonds (distance) C4'-P energy: -9.882 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -10.209 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -10.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -96.950036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.950036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.950036 (E_RNA) where: Base-Base interactions energy: -44.269 where: short stacking energy: -44.269 Base-Backbone interact. energy: 0.529 local terms energy: -53.210025 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -8.843 flat angles C4'-P-C4' energy: -14.400 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -9.825 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: 8 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -84.871264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.871264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.871264 (E_RNA) where: Base-Base interactions energy: -39.127 where: short stacking energy: -28.677 Base-Backbone interact. energy: 1.078 local terms energy: -46.821383 where: bonds (distance) C4'-P energy: -11.651 bonds (distance) P-C4' energy: -16.688 flat angles C4'-P-C4' energy: -10.312 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -83.506496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.506496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.506496 (E_RNA) where: Base-Base interactions energy: -44.170 where: short stacking energy: -14.343 Base-Backbone interact. energy: -0.397 local terms energy: -38.939503 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -12.135 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -7.219 tors. eta vs tors. theta energy: 0.353 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: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -71.455112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.455112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.455112 (E_RNA) where: Base-Base interactions energy: -23.687 where: short stacking energy: -20.067 Base-Backbone interact. energy: -0.669 local terms energy: -47.098501 where: bonds (distance) C4'-P energy: -12.188 bonds (distance) P-C4' energy: -10.821 flat angles C4'-P-C4' energy: -14.978 flat angles P-C4'-P energy: -6.636 tors. eta vs tors. theta energy: -2.475 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: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -76.063984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.063984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.063984 (E_RNA) where: Base-Base interactions energy: -24.751 where: short stacking energy: -20.507 Base-Backbone interact. energy: -0.280 local terms energy: -51.033484 where: bonds (distance) C4'-P energy: -11.463 bonds (distance) P-C4' energy: -15.692 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -10.397 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: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -170.223362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.223362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.223362 (E_RNA) where: Base-Base interactions energy: -113.112 where: short stacking energy: -47.741 Base-Backbone interact. energy: 0.921 local terms energy: -58.031906 where: bonds (distance) C4'-P energy: -11.406 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -10.261 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -13.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -167.711808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.711808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.711808 (E_RNA) where: Base-Base interactions energy: -110.927 where: short stacking energy: -45.559 Base-Backbone interact. energy: -0.448 local terms energy: -56.336748 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -11.488 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -12.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -154.407209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.407209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.407209 (E_RNA) where: Base-Base interactions energy: -89.000 where: short stacking energy: -45.019 Base-Backbone interact. energy: -0.431 local terms energy: -64.976811 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -11.251 flat angles P-C4'-P energy: -11.195 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -170.431495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.431495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.431495 (E_RNA) where: Base-Base interactions energy: -106.545 where: short stacking energy: -45.884 Base-Backbone interact. energy: -0.087 local terms energy: -63.799437 where: bonds (distance) C4'-P energy: -12.218 bonds (distance) P-C4' energy: -14.015 flat angles C4'-P-C4' energy: -14.430 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -13.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -149.785720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.785720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.785720 (E_RNA) where: Base-Base interactions energy: -89.181 where: short stacking energy: -31.889 Base-Backbone interact. energy: -0.350 local terms energy: -60.254680 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -16.891 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -8.387 tors. eta vs tors. theta energy: -6.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -112.882345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.882345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.882345 (E_RNA) where: Base-Base interactions energy: -63.293 where: short stacking energy: -40.695 Base-Backbone interact. energy: -0.015 local terms energy: -49.574296 where: bonds (distance) C4'-P energy: -10.600 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -10.128 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -5.603 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: 37 Temperature: 1.200000 Total energy: -94.038085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.038085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.038085 (E_RNA) where: Base-Base interactions energy: -39.238 where: short stacking energy: -25.577 Base-Backbone interact. energy: -0.380 local terms energy: -54.419719 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -10.299 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: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -78.012107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.012107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.012107 (E_RNA) where: Base-Base interactions energy: -41.076 where: short stacking energy: -27.829 Base-Backbone interact. energy: -0.020 local terms energy: -36.915733 where: bonds (distance) C4'-P energy: -6.010 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -11.119 flat angles P-C4'-P energy: -7.205 tors. eta vs tors. theta energy: 0.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -82.823475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.823475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.823475 (E_RNA) where: Base-Base interactions energy: -38.581 where: short stacking energy: -23.338 Base-Backbone interact. energy: -0.228 local terms energy: -44.014539 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -15.379 flat angles C4'-P-C4' energy: -9.047 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -1.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -63.494666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.494666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.494666 (E_RNA) where: Base-Base interactions energy: -30.837 where: short stacking energy: -19.079 Base-Backbone interact. energy: -0.110 local terms energy: -32.548042 where: bonds (distance) C4'-P energy: -13.396 bonds (distance) P-C4' energy: -11.375 flat angles C4'-P-C4' energy: -3.236 flat angles P-C4'-P energy: -2.284 tors. eta vs tors. theta energy: -2.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -179.568324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.568324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.568324 (E_RNA) where: Base-Base interactions energy: -112.028 where: short stacking energy: -45.758 Base-Backbone interact. energy: -0.214 local terms energy: -67.326135 where: bonds (distance) C4'-P energy: -15.641 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -14.122 flat angles P-C4'-P energy: -9.614 tors. eta vs tors. theta energy: -12.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -169.351365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.351365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.351365 (E_RNA) where: Base-Base interactions energy: -110.557 where: short stacking energy: -52.448 Base-Backbone interact. energy: 0.671 local terms energy: -59.465399 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -14.683 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: -8.422 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: 7 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -171.845161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.845161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.845161 (E_RNA) where: Base-Base interactions energy: -104.661 where: short stacking energy: -52.673 Base-Backbone interact. energy: -0.724 local terms energy: -66.460046 where: bonds (distance) C4'-P energy: -13.877 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -13.524 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -15.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -167.266631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.266631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.266631 (E_RNA) where: Base-Base interactions energy: -112.582 where: short stacking energy: -55.790 Base-Backbone interact. energy: -0.386 local terms energy: -54.299325 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -15.838 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -12.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -133.598367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.598367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.598367 (E_RNA) where: Base-Base interactions energy: -80.166 where: short stacking energy: -42.939 Base-Backbone interact. energy: -0.121 local terms energy: -53.310730 where: bonds (distance) C4'-P energy: -14.239 bonds (distance) P-C4' energy: -11.277 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -8.451 tors. eta vs tors. theta energy: -11.881 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: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -85.530143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.530143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.530143 (E_RNA) where: Base-Base interactions energy: -31.806 where: short stacking energy: -22.603 Base-Backbone interact. energy: -0.130 local terms energy: -53.593305 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -78.388548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.388548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.388548 (E_RNA) where: Base-Base interactions energy: -41.493 where: short stacking energy: -17.590 Base-Backbone interact. energy: -0.656 local terms energy: -36.239771 where: bonds (distance) C4'-P energy: -12.010 bonds (distance) P-C4' energy: -9.987 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -2.629 tors. eta vs tors. theta energy: -0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -90.670840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.670840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.670840 (E_RNA) where: Base-Base interactions energy: -45.335 where: short stacking energy: -25.048 Base-Backbone interact. energy: -0.133 local terms energy: -45.203567 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -11.292 flat angles C4'-P-C4' energy: -9.830 flat angles P-C4'-P energy: -10.821 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -81.160850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.160850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.160850 (E_RNA) where: Base-Base interactions energy: -32.453 where: short stacking energy: -20.431 Base-Backbone interact. energy: -0.099 local terms energy: -48.609332 where: bonds (distance) C4'-P energy: -13.183 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -3.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -64.863875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.863875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.863875 (E_RNA) where: Base-Base interactions energy: -22.533 where: short stacking energy: -21.115 Base-Backbone interact. energy: -0.102 local terms energy: -42.228899 where: bonds (distance) C4'-P energy: -8.967 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -11.327 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -178.923212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.923212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.923212 (E_RNA) where: Base-Base interactions energy: -111.500 where: short stacking energy: -54.567 Base-Backbone interact. energy: -0.593 local terms energy: -66.830195 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -12.702 flat angles P-C4'-P energy: -7.121 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: 2, replica: 7 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -169.930237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.930237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.930237 (E_RNA) where: Base-Base interactions energy: -107.732 where: short stacking energy: -53.014 Base-Backbone interact. energy: -0.392 local terms energy: -61.805881 where: bonds (distance) C4'-P energy: -7.776 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: -9.369 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: 3, replica: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -169.252710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.252710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.252710 (E_RNA) where: Base-Base interactions energy: -110.431 where: short stacking energy: -49.773 Base-Backbone interact. energy: -0.571 local terms energy: -58.250471 where: bonds (distance) C4'-P energy: -11.303 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -8.868 tors. eta vs tors. theta energy: -10.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -160.441798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.441798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.441798 (E_RNA) where: Base-Base interactions energy: -103.022 where: short stacking energy: -43.710 Base-Backbone interact. energy: -0.064 local terms energy: -57.355333 where: bonds (distance) C4'-P energy: -6.824 bonds (distance) P-C4' energy: -16.607 flat angles C4'-P-C4' energy: -11.735 flat angles P-C4'-P energy: -11.268 tors. eta vs tors. theta energy: -10.920 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: 39 Temperature: 1.100000 Total energy: -122.643552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.643552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.643552 (E_RNA) where: Base-Base interactions energy: -65.355 where: short stacking energy: -43.785 Base-Backbone interact. energy: -0.139 local terms energy: -57.150253 where: bonds (distance) C4'-P energy: -11.124 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -12.468 flat angles P-C4'-P energy: -9.922 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: 6, replica: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -89.756716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.756716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.756716 (E_RNA) where: Base-Base interactions energy: -41.321 where: short stacking energy: -22.788 Base-Backbone interact. energy: -0.312 local terms energy: -48.123620 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -11.034 flat angles P-C4'-P energy: -6.918 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -97.211775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.211775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.211775 (E_RNA) where: Base-Base interactions energy: -47.483 where: short stacking energy: -26.650 Base-Backbone interact. energy: -0.016 local terms energy: -49.713386 where: bonds (distance) C4'-P energy: -10.185 bonds (distance) P-C4' energy: -10.764 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -7.159 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: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -81.668595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.668595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.668595 (E_RNA) where: Base-Base interactions energy: -33.560 where: short stacking energy: -24.590 Base-Backbone interact. energy: -0.145 local terms energy: -47.963814 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -3.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -70.346108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.346108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.346108 (E_RNA) where: Base-Base interactions energy: -30.722 where: short stacking energy: -20.823 Base-Backbone interact. energy: -0.138 local terms energy: -39.486327 where: bonds (distance) C4'-P energy: -13.057 bonds (distance) P-C4' energy: -12.072 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -0.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -78.713809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.713809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.713809 (E_RNA) where: Base-Base interactions energy: -33.636 where: short stacking energy: -22.224 Base-Backbone interact. energy: -0.360 local terms energy: -44.717509 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -12.657 flat angles P-C4'-P energy: -9.176 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: 1, replica: 7 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -186.537049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.537049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.537049 (E_RNA) where: Base-Base interactions energy: -121.423 where: short stacking energy: -54.662 Base-Backbone interact. energy: -0.094 local terms energy: -65.020093 where: bonds (distance) C4'-P energy: -12.379 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -12.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -163.252680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.252680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.252680 (E_RNA) where: Base-Base interactions energy: -91.981 where: short stacking energy: -47.013 Base-Backbone interact. energy: -0.024 local terms energy: -71.246914 where: bonds (distance) C4'-P energy: -15.865 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -15.475 flat angles P-C4'-P energy: -11.347 tors. eta vs tors. theta energy: -13.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -172.639883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.639883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.639883 (E_RNA) where: Base-Base interactions energy: -113.763 where: short stacking energy: -51.219 Base-Backbone interact. energy: -0.601 local terms energy: -58.276160 where: bonds (distance) C4'-P energy: -11.153 bonds (distance) P-C4' energy: -13.968 flat angles C4'-P-C4' energy: -15.344 flat angles P-C4'-P energy: -8.154 tors. eta vs tors. theta energy: -9.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -166.586146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.586146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.586146 (E_RNA) where: Base-Base interactions energy: -102.152 where: short stacking energy: -57.097 Base-Backbone interact. energy: 0.717 local terms energy: -65.151120 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -7.248 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: 10 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -135.977117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.977117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.977117 (E_RNA) where: Base-Base interactions energy: -86.712 where: short stacking energy: -37.280 Base-Backbone interact. energy: -0.248 local terms energy: -49.017563 where: bonds (distance) C4'-P energy: -11.898 bonds (distance) P-C4' energy: -12.824 flat angles C4'-P-C4' energy: -11.415 flat angles P-C4'-P energy: -7.895 tors. eta vs tors. theta energy: -4.985 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: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -94.650677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.650677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.650677 (E_RNA) where: Base-Base interactions energy: -36.905 where: short stacking energy: -30.275 Base-Backbone interact. energy: -0.131 local terms energy: -57.614681 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -14.060 flat angles P-C4'-P energy: -9.732 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: 7, replica: 4 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -95.143470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.143470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.143470 (E_RNA) where: Base-Base interactions energy: -38.984 where: short stacking energy: -38.984 Base-Backbone interact. energy: -0.079 local terms energy: -56.081011 where: bonds (distance) C4'-P energy: -11.526 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -13.212 flat angles P-C4'-P energy: -7.036 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: 8, replica: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -71.359565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.359565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.359565 (E_RNA) where: Base-Base interactions energy: -27.916 where: short stacking energy: -27.513 Base-Backbone interact. energy: -0.001 local terms energy: -43.442689 where: bonds (distance) C4'-P energy: -12.270 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -1.838 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: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -68.531649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.531649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.531649 (E_RNA) where: Base-Base interactions energy: -22.482 where: short stacking energy: -15.936 Base-Backbone interact. energy: -1.113 local terms energy: -44.937164 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -7.255 tors. eta vs tors. theta energy: 1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -62.932097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.932097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.932097 (E_RNA) where: Base-Base interactions energy: -32.712 where: short stacking energy: -21.016 Base-Backbone interact. energy: 6.766 local terms energy: -36.986635 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -15.196 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -3.229 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: 1, replica: 7 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -182.807806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.807806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.807806 (E_RNA) where: Base-Base interactions energy: -123.649 where: short stacking energy: -55.233 Base-Backbone interact. energy: -0.783 local terms energy: -58.375623 where: bonds (distance) C4'-P energy: -10.554 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -12.826 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: -13.630 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: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -177.187244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.187244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.187244 (E_RNA) where: Base-Base interactions energy: -108.192 where: short stacking energy: -50.912 Base-Backbone interact. energy: -1.708 local terms energy: -67.287311 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -11.110 flat angles P-C4'-P energy: -10.352 tors. eta vs tors. theta energy: -15.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -162.019528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.019528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.019528 (E_RNA) where: Base-Base interactions energy: -99.184 where: short stacking energy: -47.467 Base-Backbone interact. energy: -0.174 local terms energy: -62.662249 where: bonds (distance) C4'-P energy: -11.133 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -13.663 flat angles P-C4'-P energy: -8.956 tors. eta vs tors. theta energy: -12.523 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: 1 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -163.944924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.944924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.944924 (E_RNA) where: Base-Base interactions energy: -95.633 where: short stacking energy: -47.221 Base-Backbone interact. energy: -0.144 local terms energy: -68.167812 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -7.661 tors. eta vs tors. theta energy: -16.923 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: 10 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -140.432276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.432276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.432276 (E_RNA) where: Base-Base interactions energy: -85.156 where: short stacking energy: -38.427 Base-Backbone interact. energy: 0.199 local terms energy: -55.475579 where: bonds (distance) C4'-P energy: -10.967 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -9.604 flat angles P-C4'-P energy: -7.783 tors. eta vs tors. theta energy: -10.943 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: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -82.802327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.802327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.802327 (E_RNA) where: Base-Base interactions energy: -36.038 where: short stacking energy: -36.038 Base-Backbone interact. energy: -0.010 local terms energy: -46.755193 where: bonds (distance) C4'-P energy: -14.934 bonds (distance) P-C4' energy: -12.746 flat angles C4'-P-C4' energy: -11.598 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -4.281 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: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -85.340217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.340217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.340217 (E_RNA) where: Base-Base interactions energy: -42.101 where: short stacking energy: -35.119 Base-Backbone interact. energy: 1.931 local terms energy: -45.169894 where: bonds (distance) C4'-P energy: -11.444 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -9.694 flat angles P-C4'-P energy: -7.296 tors. eta vs tors. theta energy: -2.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -79.480060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.480060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.480060 (E_RNA) where: Base-Base interactions energy: -39.577 where: short stacking energy: -24.970 Base-Backbone interact. energy: 0.868 local terms energy: -40.771282 where: bonds (distance) C4'-P energy: -13.895 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -9.776 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -1.355 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: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -65.438102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.438102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.438102 (E_RNA) where: Base-Base interactions energy: -13.043 where: short stacking energy: -13.043 Base-Backbone interact. energy: -0.208 local terms energy: -52.187212 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -16.306 flat angles C4'-P-C4' energy: -11.590 flat angles P-C4'-P energy: -8.725 tors. eta vs tors. theta energy: -1.487 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: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -74.271392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.271392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.271392 (E_RNA) where: Base-Base interactions energy: -24.370 where: short stacking energy: -21.966 Base-Backbone interact. energy: -1.011 local terms energy: -48.890755 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -8.806 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -7.211 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: 7 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -182.797232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.797232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.797232 (E_RNA) where: Base-Base interactions energy: -112.664 where: short stacking energy: -51.704 Base-Backbone interact. energy: -1.629 local terms energy: -68.504141 where: bonds (distance) C4'-P energy: -14.051 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -13.224 tors. eta vs tors. theta energy: -13.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -172.736848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.736848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.736848 (E_RNA) where: Base-Base interactions energy: -107.361 where: short stacking energy: -53.426 Base-Backbone interact. energy: -0.514 local terms energy: -64.861931 where: bonds (distance) C4'-P energy: -15.467 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -12.506 flat angles P-C4'-P energy: -9.389 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: 3, replica: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -178.002185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.002185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.002185 (E_RNA) where: Base-Base interactions energy: -110.150 where: short stacking energy: -53.620 Base-Backbone interact. energy: -0.089 local terms energy: -67.763219 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -12.104 flat angles C4'-P-C4' energy: -14.953 flat angles P-C4'-P energy: -10.500 tors. eta vs tors. theta energy: -16.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -159.101808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.101808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.101808 (E_RNA) where: Base-Base interactions energy: -99.469 where: short stacking energy: -46.789 Base-Backbone interact. energy: -0.133 local terms energy: -59.500011 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -10.940 flat angles P-C4'-P energy: -11.070 tors. eta vs tors. theta energy: -8.055 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: 5, replica: 10 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -133.353229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.353229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.353229 (E_RNA) where: Base-Base interactions energy: -74.011 where: short stacking energy: -30.318 Base-Backbone interact. energy: -0.159 local terms energy: -59.183004 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -12.467 tors. eta vs tors. theta energy: -5.041 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: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -86.203928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.203928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.203928 (E_RNA) where: Base-Base interactions energy: -39.707 where: short stacking energy: -36.929 Base-Backbone interact. energy: 2.151 local terms energy: -48.647696 where: bonds (distance) C4'-P energy: -15.885 bonds (distance) P-C4' energy: -11.981 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -6.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -78.814069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.814069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.814069 (E_RNA) where: Base-Base interactions energy: -33.290 where: short stacking energy: -28.076 Base-Backbone interact. energy: -0.006 local terms energy: -45.518206 where: bonds (distance) C4'-P energy: -5.776 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -14.974 flat angles P-C4'-P energy: -5.061 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: 8, replica: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -81.210330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.210330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.210330 (E_RNA) where: Base-Base interactions energy: -27.916 where: short stacking energy: -27.567 Base-Backbone interact. energy: -0.225 local terms energy: -53.069637 where: bonds (distance) C4'-P energy: -13.334 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -11.152 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -6.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -72.273695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.273695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.273695 (E_RNA) where: Base-Base interactions energy: -22.290 where: short stacking energy: -21.530 Base-Backbone interact. energy: -0.229 local terms energy: -49.754514 where: bonds (distance) C4'-P energy: -14.560 bonds (distance) P-C4' energy: -12.755 flat angles C4'-P-C4' energy: -10.513 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -3.134 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: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -75.014581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.014581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.014581 (E_RNA) where: Base-Base interactions energy: -26.062 where: short stacking energy: -26.062 Base-Backbone interact. energy: -0.097 local terms energy: -48.856342 where: bonds (distance) C4'-P energy: -12.794 bonds (distance) P-C4' energy: -11.761 flat angles C4'-P-C4' energy: -10.341 flat angles P-C4'-P energy: -7.062 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: 7 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -177.740655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.740655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.740655 (E_RNA) where: Base-Base interactions energy: -110.582 where: short stacking energy: -53.977 Base-Backbone interact. energy: -0.001 local terms energy: -67.158358 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -12.421 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -6.076 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: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -180.288491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.288491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.288491 (E_RNA) where: Base-Base interactions energy: -114.673 where: short stacking energy: -58.963 Base-Backbone interact. energy: -0.195 local terms energy: -65.419959 where: bonds (distance) C4'-P energy: -11.639 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -15.526 flat angles P-C4'-P energy: -9.217 tors. eta vs tors. theta energy: -15.217 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: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -167.832223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.832223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.832223 (E_RNA) where: Base-Base interactions energy: -97.273 where: short stacking energy: -47.217 Base-Backbone interact. energy: -0.877 local terms energy: -69.682375 where: bonds (distance) C4'-P energy: -15.715 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -15.426 flat angles P-C4'-P energy: -13.113 tors. eta vs tors. theta energy: -13.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -172.031831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.031831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.031831 (E_RNA) where: Base-Base interactions energy: -105.960 where: short stacking energy: -53.817 Base-Backbone interact. energy: -0.502 local terms energy: -65.569919 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -10.091 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: 10 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -130.979359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.979359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.979359 (E_RNA) where: Base-Base interactions energy: -81.623 where: short stacking energy: -40.866 Base-Backbone interact. energy: -0.931 local terms energy: -48.425484 where: bonds (distance) C4'-P energy: -9.083 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -9.101 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -96.585702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.585702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.585702 (E_RNA) where: Base-Base interactions energy: -46.240 where: short stacking energy: -28.025 Base-Backbone interact. energy: 0.059 local terms energy: -50.405056 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -12.435 flat angles C4'-P-C4' energy: -11.154 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -8.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -91.301427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.301427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.301427 (E_RNA) where: Base-Base interactions energy: -39.356 where: short stacking energy: -39.356 Base-Backbone interact. energy: -0.073 local terms energy: -51.872886 where: bonds (distance) C4'-P energy: -11.567 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -12.604 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -5.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -85.864676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.864676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.864676 (E_RNA) where: Base-Base interactions energy: -37.052 where: short stacking energy: -31.308 Base-Backbone interact. energy: -0.119 local terms energy: -48.694077 where: bonds (distance) C4'-P energy: -14.942 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -8.765 tors. eta vs tors. theta energy: -5.930 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: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -71.225590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.225590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.225590 (E_RNA) where: Base-Base interactions energy: -24.955 where: short stacking energy: -23.293 Base-Backbone interact. energy: -0.383 local terms energy: -45.887514 where: bonds (distance) C4'-P energy: -10.698 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -11.463 flat angles P-C4'-P energy: -11.503 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -71.643024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.643024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.643024 (E_RNA) where: Base-Base interactions energy: -22.069 where: short stacking energy: -22.069 Base-Backbone interact. energy: -0.118 local terms energy: -49.456132 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -8.264 tors. eta vs tors. theta energy: -2.092 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: 7 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -179.413462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.413462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.413462 (E_RNA) where: Base-Base interactions energy: -118.530 where: short stacking energy: -57.007 Base-Backbone interact. energy: -0.283 local terms energy: -60.600066 where: bonds (distance) C4'-P energy: -11.707 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -14.373 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -14.819 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: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -165.985107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.985107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.985107 (E_RNA) where: Base-Base interactions energy: -102.701 where: short stacking energy: -54.116 Base-Backbone interact. energy: -0.071 local terms energy: -63.213324 where: bonds (distance) C4'-P energy: -14.067 bonds (distance) P-C4' energy: -14.257 flat angles C4'-P-C4' energy: -11.129 flat angles P-C4'-P energy: -9.525 tors. eta vs tors. theta energy: -14.234 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: 6 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -170.069562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.069562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.069562 (E_RNA) where: Base-Base interactions energy: -108.425 where: short stacking energy: -49.520 Base-Backbone interact. energy: -2.661 local terms energy: -58.983902 where: bonds (distance) C4'-P energy: -12.374 bonds (distance) P-C4' energy: -14.727 flat angles C4'-P-C4' energy: -12.192 flat angles P-C4'-P energy: -10.868 tors. eta vs tors. theta energy: -8.823 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: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -164.989447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.989447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.989447 (E_RNA) where: Base-Base interactions energy: -108.590 where: short stacking energy: -54.547 Base-Backbone interact. energy: -0.386 local terms energy: -56.014146 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -9.366 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -17.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -145.724673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.724673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.724673 (E_RNA) where: Base-Base interactions energy: -83.443 where: short stacking energy: -41.333 Base-Backbone interact. energy: -0.116 local terms energy: -62.166361 where: bonds (distance) C4'-P energy: -13.641 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -11.238 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -11.660 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: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -99.435338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.435338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.435338 (E_RNA) where: Base-Base interactions energy: -46.995 where: short stacking energy: -31.768 Base-Backbone interact. energy: -0.077 local terms energy: -52.363060 where: bonds (distance) C4'-P energy: -11.509 bonds (distance) P-C4' energy: -9.290 flat angles C4'-P-C4' energy: -15.111 flat angles P-C4'-P energy: -8.620 tors. eta vs tors. theta energy: -7.833 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: 2 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -91.803253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.803253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.803253 (E_RNA) where: Base-Base interactions energy: -44.839 where: short stacking energy: -34.856 Base-Backbone interact. energy: -0.594 local terms energy: -46.369936 where: bonds (distance) C4'-P energy: -12.392 bonds (distance) P-C4' energy: -9.344 flat angles C4'-P-C4' energy: -9.103 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -84.843743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.843743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.843743 (E_RNA) where: Base-Base interactions energy: -32.500 where: short stacking energy: -27.175 Base-Backbone interact. energy: -0.300 local terms energy: -52.044487 where: bonds (distance) C4'-P energy: -8.685 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -14.440 flat angles P-C4'-P energy: -8.758 tors. eta vs tors. theta energy: -6.432 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: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -92.527042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.527042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.527042 (E_RNA) where: Base-Base interactions energy: -40.136 where: short stacking energy: -29.955 Base-Backbone interact. energy: -0.081 local terms energy: -52.310677 where: bonds (distance) C4'-P energy: -11.469 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -11.567 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -81.622869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.622869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.622869 (E_RNA) where: Base-Base interactions energy: -37.879 where: short stacking energy: -23.315 Base-Backbone interact. energy: 0.501 local terms energy: -44.245012 where: bonds (distance) C4'-P energy: -8.318 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -4.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -178.250800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.250800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.250800 (E_RNA) where: Base-Base interactions energy: -110.790 where: short stacking energy: -57.012 Base-Backbone interact. energy: -0.084 local terms energy: -67.376019 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -15.387 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -17.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -176.839493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.839493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.839493 (E_RNA) where: Base-Base interactions energy: -104.517 where: short stacking energy: -56.034 Base-Backbone interact. energy: -0.002 local terms energy: -72.320939 where: bonds (distance) C4'-P energy: -16.630 bonds (distance) P-C4' energy: -12.209 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -10.512 tors. eta vs tors. theta energy: -17.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -161.597064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.597064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.597064 (E_RNA) where: Base-Base interactions energy: -101.920 where: short stacking energy: -38.926 Base-Backbone interact. energy: -0.218 local terms energy: -59.458847 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -10.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -140.451756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.451756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.451756 (E_RNA) where: Base-Base interactions energy: -82.401 where: short stacking energy: -26.491 Base-Backbone interact. energy: -0.805 local terms energy: -57.245729 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -13.531 flat angles C4'-P-C4' energy: -10.880 flat angles P-C4'-P energy: -10.302 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: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -163.507351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.507351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.507351 (E_RNA) where: Base-Base interactions energy: -102.027 where: short stacking energy: -52.124 Base-Backbone interact. energy: -0.208 local terms energy: -61.272327 where: bonds (distance) C4'-P energy: -12.486 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -10.702 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: 2 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -97.383734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.383734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.383734 (E_RNA) where: Base-Base interactions energy: -44.727 where: short stacking energy: -41.185 Base-Backbone interact. energy: -0.282 local terms energy: -52.374604 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -11.102 flat angles C4'-P-C4' energy: -10.482 flat angles P-C4'-P energy: -8.705 tors. eta vs tors. theta energy: -8.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -78.431371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.431371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.431371 (E_RNA) where: Base-Base interactions energy: -33.766 where: short stacking energy: -27.520 Base-Backbone interact. energy: -0.173 local terms energy: -44.492213 where: bonds (distance) C4'-P energy: -11.672 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -9.717 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -74.286456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.286456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.286456 (E_RNA) where: Base-Base interactions energy: -26.316 where: short stacking energy: -26.316 Base-Backbone interact. energy: -0.146 local terms energy: -47.824529 where: bonds (distance) C4'-P energy: -7.737 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -10.594 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -7.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -74.506087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.506087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.506087 (E_RNA) where: Base-Base interactions energy: -28.905 where: short stacking energy: -21.594 Base-Backbone interact. energy: -0.214 local terms energy: -45.387809 where: bonds (distance) C4'-P energy: -14.700 bonds (distance) P-C4' energy: -10.713 flat angles C4'-P-C4' energy: -10.856 flat angles P-C4'-P energy: -9.524 tors. eta vs tors. theta energy: 0.406 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: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -69.974266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.974266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.974266 (E_RNA) where: Base-Base interactions energy: -19.161 where: short stacking energy: -19.161 Base-Backbone interact. energy: -0.109 local terms energy: -50.703763 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -15.030 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -9.961 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -178.001578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.001578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.001578 (E_RNA) where: Base-Base interactions energy: -117.029 where: short stacking energy: -51.116 Base-Backbone interact. energy: -0.345 local terms energy: -60.627825 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -15.585 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -14.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -177.095753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.095753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.095753 (E_RNA) where: Base-Base interactions energy: -114.336 where: short stacking energy: -61.450 Base-Backbone interact. energy: -0.002 local terms energy: -62.758687 where: bonds (distance) C4'-P energy: -10.411 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -14.488 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -14.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -153.552628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.552628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.552628 (E_RNA) where: Base-Base interactions energy: -94.400 where: short stacking energy: -36.112 Base-Backbone interact. energy: -0.232 local terms energy: -58.920461 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -10.919 tors. eta vs tors. theta energy: -5.678 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: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -166.416875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.416875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.416875 (E_RNA) where: Base-Base interactions energy: -102.535 where: short stacking energy: -52.377 Base-Backbone interact. energy: -0.105 local terms energy: -63.776825 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -12.237 flat angles C4'-P-C4' energy: -16.179 flat angles P-C4'-P energy: -5.272 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: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -155.386146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.386146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.386146 (E_RNA) where: Base-Base interactions energy: -94.318 where: short stacking energy: -44.123 Base-Backbone interact. energy: -0.263 local terms energy: -60.804767 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -14.546 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -8.880 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: 6, replica: 2 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -109.425232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.425232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.425232 (E_RNA) where: Base-Base interactions energy: -57.112 where: short stacking energy: -30.774 Base-Backbone interact. energy: -0.364 local terms energy: -51.949070 where: bonds (distance) C4'-P energy: -11.252 bonds (distance) P-C4' energy: -15.435 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -7.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -77.934171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.934171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.934171 (E_RNA) where: Base-Base interactions energy: -24.852 where: short stacking energy: -18.269 Base-Backbone interact. energy: -0.286 local terms energy: -52.795342 where: bonds (distance) C4'-P energy: -15.310 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -8.995 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -90.708060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.708060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.708060 (E_RNA) where: Base-Base interactions energy: -41.979 where: short stacking energy: -33.632 Base-Backbone interact. energy: -0.109 local terms energy: -48.620642 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -10.663 flat angles C4'-P-C4' energy: -12.433 flat angles P-C4'-P energy: -11.586 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -67.556944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.556944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.556944 (E_RNA) where: Base-Base interactions energy: -21.339 where: short stacking energy: -21.339 Base-Backbone interact. energy: -0.470 local terms energy: -45.747905 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -11.564 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -75.965633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.965633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.965633 (E_RNA) where: Base-Base interactions energy: -24.339 where: short stacking energy: -24.339 Base-Backbone interact. energy: -0.074 local terms energy: -51.552025 where: bonds (distance) C4'-P energy: -9.419 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -182.938364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.938364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.938364 (E_RNA) where: Base-Base interactions energy: -115.072 where: short stacking energy: -58.484 Base-Backbone interact. energy: -0.001 local terms energy: -67.865166 where: bonds (distance) C4'-P energy: -14.640 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -14.577 flat angles P-C4'-P energy: -6.280 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: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -175.846437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.846437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.846437 (E_RNA) where: Base-Base interactions energy: -107.708 where: short stacking energy: -58.072 Base-Backbone interact. energy: -0.293 local terms energy: -67.846181 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -16.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -147.229352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.229352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.229352 (E_RNA) where: Base-Base interactions energy: -83.476 where: short stacking energy: -39.475 Base-Backbone interact. energy: -0.075 local terms energy: -63.678503 where: bonds (distance) C4'-P energy: -12.693 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -15.123 flat angles P-C4'-P energy: -9.149 tors. eta vs tors. theta energy: -11.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -158.990086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.990086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.990086 (E_RNA) where: Base-Base interactions energy: -92.479 where: short stacking energy: -50.606 Base-Backbone interact. energy: -0.121 local terms energy: -66.389915 where: bonds (distance) C4'-P energy: -16.345 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -14.757 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -12.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -153.347791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.347791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.347791 (E_RNA) where: Base-Base interactions energy: -96.538 where: short stacking energy: -46.384 Base-Backbone interact. energy: 0.014 local terms energy: -56.823227 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -10.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -107.268873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.268873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.268873 (E_RNA) where: Base-Base interactions energy: -57.724 where: short stacking energy: -31.963 Base-Backbone interact. energy: -0.115 local terms energy: -49.429856 where: bonds (distance) C4'-P energy: -8.914 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -14.592 flat angles P-C4'-P energy: -7.649 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: 7, replica: 2 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -90.076103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.076103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.076103 (E_RNA) where: Base-Base interactions energy: -40.698 where: short stacking energy: -31.658 Base-Backbone interact. energy: -0.010 local terms energy: -49.368522 where: bonds (distance) C4'-P energy: -10.801 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -11.731 tors. eta vs tors. theta energy: -5.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -77.704993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.704993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.704993 (E_RNA) where: Base-Base interactions energy: -43.607 where: short stacking energy: -24.669 Base-Backbone interact. energy: 0.037 local terms energy: -34.134863 where: bonds (distance) C4'-P energy: -11.932 bonds (distance) P-C4' energy: -8.180 flat angles C4'-P-C4' energy: -11.528 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: 4.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -86.110252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.110252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.110252 (E_RNA) where: Base-Base interactions energy: -47.220 where: short stacking energy: -29.653 Base-Backbone interact. energy: -0.052 local terms energy: -38.838122 where: bonds (distance) C4'-P energy: -5.444 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -72.388590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.388590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.388590 (E_RNA) where: Base-Base interactions energy: -31.284 where: short stacking energy: -26.126 Base-Backbone interact. energy: -0.157 local terms energy: -40.947339 where: bonds (distance) C4'-P energy: -14.338 bonds (distance) P-C4' energy: -12.938 flat angles C4'-P-C4' energy: -10.789 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: 2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -182.176116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.176116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.176116 (E_RNA) where: Base-Base interactions energy: -115.703 where: short stacking energy: -64.076 Base-Backbone interact. energy: -0.891 local terms energy: -65.581972 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -7.482 tors. eta vs tors. theta energy: -19.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -176.670421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.670421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.670421 (E_RNA) where: Base-Base interactions energy: -105.390 where: short stacking energy: -56.848 Base-Backbone interact. energy: 0.670 local terms energy: -71.950439 where: bonds (distance) C4'-P energy: -13.749 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -15.128 flat angles P-C4'-P energy: -11.843 tors. eta vs tors. theta energy: -14.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -162.458501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.458501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.458501 (E_RNA) where: Base-Base interactions energy: -100.947 where: short stacking energy: -57.457 Base-Backbone interact. energy: -0.030 local terms energy: -61.481628 where: bonds (distance) C4'-P energy: -13.173 bonds (distance) P-C4' energy: -14.910 flat angles C4'-P-C4' energy: -12.085 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -14.733 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: 10 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -136.694425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.694425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.694425 (E_RNA) where: Base-Base interactions energy: -80.315 where: short stacking energy: -44.379 Base-Backbone interact. energy: -0.131 local terms energy: -56.248932 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -11.543 flat angles P-C4'-P energy: -9.874 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: 5, replica: 9 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -102.225502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.225502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.225502 (E_RNA) where: Base-Base interactions energy: -40.653 where: short stacking energy: -40.653 Base-Backbone interact. energy: -0.011 local terms energy: -61.561878 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -17.081 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: -10.328 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: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -154.488447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.488447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.488447 (E_RNA) where: Base-Base interactions energy: -101.337 where: short stacking energy: -41.159 Base-Backbone interact. energy: -0.407 local terms energy: -52.744369 where: bonds (distance) C4'-P energy: -10.590 bonds (distance) P-C4' energy: -9.067 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -10.201 tors. eta vs tors. theta energy: -11.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -75.986576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.986576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.986576 (E_RNA) where: Base-Base interactions energy: -30.930 where: short stacking energy: -19.733 Base-Backbone interact. energy: -0.159 local terms energy: -44.897370 where: bonds (distance) C4'-P energy: -14.338 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -9.407 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: 0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -71.946052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.946052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.946052 (E_RNA) where: Base-Base interactions energy: -26.996 where: short stacking energy: -18.809 Base-Backbone interact. energy: -0.066 local terms energy: -44.884757 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -11.121 tors. eta vs tors. theta energy: 1.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -74.148080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.148080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.148080 (E_RNA) where: Base-Base interactions energy: -26.328 where: short stacking energy: -20.599 Base-Backbone interact. energy: -0.294 local terms energy: -47.526355 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -9.097 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -10.354 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -73.023132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.023132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.023132 (E_RNA) where: Base-Base interactions energy: -30.497 where: short stacking energy: -27.270 Base-Backbone interact. energy: -0.029 local terms energy: -42.497308 where: bonds (distance) C4'-P energy: -8.723 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -9.677 tors. eta vs tors. theta energy: -1.687 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: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -181.935350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.935350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.935350 (E_RNA) where: Base-Base interactions energy: -113.562 where: short stacking energy: -57.130 Base-Backbone interact. energy: -0.498 local terms energy: -67.875411 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -15.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -180.672031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.672031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.672031 (E_RNA) where: Base-Base interactions energy: -110.027 where: short stacking energy: -58.594 Base-Backbone interact. energy: -0.010 local terms energy: -70.635139 where: bonds (distance) C4'-P energy: -13.877 bonds (distance) P-C4' energy: -11.448 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -10.020 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: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -164.271735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.271735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.271735 (E_RNA) where: Base-Base interactions energy: -102.991 where: short stacking energy: -43.608 Base-Backbone interact. energy: -0.856 local terms energy: -60.424455 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -15.379 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -11.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -139.533923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.533923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.533923 (E_RNA) where: Base-Base interactions energy: -77.344 where: short stacking energy: -48.085 Base-Backbone interact. energy: -0.774 local terms energy: -61.415010 where: bonds (distance) C4'-P energy: -12.602 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -15.639 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -12.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -97.855591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.855591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.855591 (E_RNA) where: Base-Base interactions energy: -42.404 where: short stacking energy: -42.404 Base-Backbone interact. energy: -0.052 local terms energy: -55.399722 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -16.904 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -7.171 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -137.861596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.861596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.861596 (E_RNA) where: Base-Base interactions energy: -90.216 where: short stacking energy: -32.714 Base-Backbone interact. energy: -0.264 local terms energy: -47.381331 where: bonds (distance) C4'-P energy: -11.245 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -11.131 flat angles P-C4'-P energy: -8.028 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: 7, replica: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -84.691566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.691566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.691566 (E_RNA) where: Base-Base interactions energy: -28.925 where: short stacking energy: -28.925 Base-Backbone interact. energy: -0.036 local terms energy: -55.730015 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -12.726 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -4.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -83.464893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.464893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.464893 (E_RNA) where: Base-Base interactions energy: -39.807 where: short stacking energy: -29.005 Base-Backbone interact. energy: -0.225 local terms energy: -43.433259 where: bonds (distance) C4'-P energy: -9.560 bonds (distance) P-C4' energy: -15.678 flat angles C4'-P-C4' energy: -10.111 flat angles P-C4'-P energy: -8.006 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: 9, replica: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -78.976831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.976831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.976831 (E_RNA) where: Base-Base interactions energy: -29.671 where: short stacking energy: -29.087 Base-Backbone interact. energy: -0.165 local terms energy: -49.140316 where: bonds (distance) C4'-P energy: -9.809 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -8.860 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: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -64.765024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.765024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.765024 (E_RNA) where: Base-Base interactions energy: -23.082 where: short stacking energy: -23.482 Base-Backbone interact. energy: -0.198 local terms energy: -41.484355 where: bonds (distance) C4'-P energy: -15.418 bonds (distance) P-C4' energy: -3.554 flat angles C4'-P-C4' energy: -14.432 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -175.004964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.004964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.004964 (E_RNA) where: Base-Base interactions energy: -102.198 where: short stacking energy: -46.125 Base-Backbone interact. energy: -0.988 local terms energy: -71.819710 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -15.464 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -17.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -176.252043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.252043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.252043 (E_RNA) where: Base-Base interactions energy: -107.171 where: short stacking energy: -53.764 Base-Backbone interact. energy: -0.910 local terms energy: -68.170841 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -12.896 flat angles P-C4'-P energy: -10.824 tors. eta vs tors. theta energy: -15.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -184.847734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.847734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.847734 (E_RNA) where: Base-Base interactions energy: -118.002 where: short stacking energy: -54.966 Base-Backbone interact. energy: -0.881 local terms energy: -65.964757 where: bonds (distance) C4'-P energy: -12.086 bonds (distance) P-C4' energy: -14.522 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -9.768 tors. eta vs tors. theta energy: -14.908 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: 10 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -139.538312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.538312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.538312 (E_RNA) where: Base-Base interactions energy: -81.001 where: short stacking energy: -37.852 Base-Backbone interact. energy: -0.222 local terms energy: -58.315716 where: bonds (distance) C4'-P energy: -14.212 bonds (distance) P-C4' energy: -15.402 flat angles C4'-P-C4' energy: -11.274 flat angles P-C4'-P energy: -10.353 tors. eta vs tors. theta energy: -7.075 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: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -159.483342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.483342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.483342 (E_RNA) where: Base-Base interactions energy: -95.924 where: short stacking energy: -55.441 Base-Backbone interact. energy: -0.162 local terms energy: -63.397560 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -15.086 flat angles C4'-P-C4' energy: -15.769 flat angles P-C4'-P energy: -8.023 tors. eta vs tors. theta energy: -11.160 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: 9 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -94.045989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.045989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.045989 (E_RNA) where: Base-Base interactions energy: -41.666 where: short stacking energy: -29.542 Base-Backbone interact. energy: -0.059 local terms energy: -52.320511 where: bonds (distance) C4'-P energy: -12.918 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -7.937 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: 4 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -104.139732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.139732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.139732 (E_RNA) where: Base-Base interactions energy: -54.661 where: short stacking energy: -32.018 Base-Backbone interact. energy: -0.048 local terms energy: -49.429795 where: bonds (distance) C4'-P energy: -11.497 bonds (distance) P-C4' energy: -11.869 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -9.280 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -73.156309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.156309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.156309 (E_RNA) where: Base-Base interactions energy: -31.479 where: short stacking energy: -27.928 Base-Backbone interact. energy: 0.439 local terms energy: -42.116738 where: bonds (distance) C4'-P energy: -11.650 bonds (distance) P-C4' energy: -9.610 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -6.327 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -77.624929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.624929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.624929 (E_RNA) where: Base-Base interactions energy: -29.741 where: short stacking energy: -10.555 Base-Backbone interact. energy: -0.036 local terms energy: -47.848214 where: bonds (distance) C4'-P energy: -10.756 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -12.031 flat angles P-C4'-P energy: -10.863 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: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -61.840483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.840483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.840483 (E_RNA) where: Base-Base interactions energy: -18.342 where: short stacking energy: -18.342 Base-Backbone interact. energy: -0.580 local terms energy: -42.918675 where: bonds (distance) C4'-P energy: -9.877 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: 2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -181.662712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.662712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.662712 (E_RNA) where: Base-Base interactions energy: -113.920 where: short stacking energy: -61.584 Base-Backbone interact. energy: -0.029 local terms energy: -67.712934 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -13.392 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -7.376 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: 2, replica: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -169.245997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.245997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.245997 (E_RNA) where: Base-Base interactions energy: -109.064 where: short stacking energy: -45.160 Base-Backbone interact. energy: -0.683 local terms energy: -59.499649 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -12.600 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -11.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -168.444875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.444875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.444875 (E_RNA) where: Base-Base interactions energy: -103.620 where: short stacking energy: -60.663 Base-Backbone interact. energy: -0.529 local terms energy: -64.295315 where: bonds (distance) C4'-P energy: -11.248 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -16.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -170.659571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.659571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.659571 (E_RNA) where: Base-Base interactions energy: -109.421 where: short stacking energy: -49.685 Base-Backbone interact. energy: -0.687 local terms energy: -60.550912 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -10.587 flat angles C4'-P-C4' energy: -11.234 flat angles P-C4'-P energy: -8.616 tors. eta vs tors. theta energy: -16.449 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: 10 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -138.991648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.991648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.991648 (E_RNA) where: Base-Base interactions energy: -84.382 where: short stacking energy: -37.306 Base-Backbone interact. energy: -0.343 local terms energy: -54.266373 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -12.272 flat angles P-C4'-P energy: -5.871 tors. eta vs tors. theta energy: -5.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -93.795976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.795976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.795976 (E_RNA) where: Base-Base interactions energy: -38.698 where: short stacking energy: -38.698 Base-Backbone interact. energy: -0.087 local terms energy: -55.011114 where: bonds (distance) C4'-P energy: -11.542 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -9.446 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -12.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -82.218189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.218189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.218189 (E_RNA) where: Base-Base interactions energy: -37.312 where: short stacking energy: -36.866 Base-Backbone interact. energy: -0.254 local terms energy: -44.651394 where: bonds (distance) C4'-P energy: -10.831 bonds (distance) P-C4' energy: -16.045 flat angles C4'-P-C4' energy: -10.641 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -78.549888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.549888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.549888 (E_RNA) where: Base-Base interactions energy: -36.408 where: short stacking energy: -23.120 Base-Backbone interact. energy: -0.815 local terms energy: -41.326773 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -12.818 flat angles C4'-P-C4' energy: -10.866 flat angles P-C4'-P energy: -6.943 tors. eta vs tors. theta energy: -0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -71.009414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.009414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.009414 (E_RNA) where: Base-Base interactions energy: -31.913 where: short stacking energy: -26.812 Base-Backbone interact. energy: -0.066 local terms energy: -39.030456 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -12.833 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: 0.916 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: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -68.564873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.564873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.564873 (E_RNA) where: Base-Base interactions energy: -26.909 where: short stacking energy: -19.783 Base-Backbone interact. energy: 1.047 local terms energy: -42.703192 where: bonds (distance) C4'-P energy: -13.045 bonds (distance) P-C4' energy: -16.113 flat angles C4'-P-C4' energy: -9.062 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: 0.681 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: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -176.786380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.786380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.786380 (E_RNA) where: Base-Base interactions energy: -122.363 where: short stacking energy: -45.994 Base-Backbone interact. energy: -0.422 local terms energy: -54.001815 where: bonds (distance) C4'-P energy: -13.107 bonds (distance) P-C4' energy: -14.485 flat angles C4'-P-C4' energy: -11.962 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -8.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -179.445534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.445534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.445534 (E_RNA) where: Base-Base interactions energy: -115.222 where: short stacking energy: -59.973 Base-Backbone interact. energy: -0.393 local terms energy: -63.830728 where: bonds (distance) C4'-P energy: -12.425 bonds (distance) P-C4' energy: -11.870 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -17.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -170.893773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.893773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.893773 (E_RNA) where: Base-Base interactions energy: -102.864 where: short stacking energy: -54.841 Base-Backbone interact. energy: -0.094 local terms energy: -67.935381 where: bonds (distance) C4'-P energy: -10.715 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -7.728 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: 6 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -156.243329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.243329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.243329 (E_RNA) where: Base-Base interactions energy: -104.374 where: short stacking energy: -44.606 Base-Backbone interact. energy: -0.124 local terms energy: -51.745191 where: bonds (distance) C4'-P energy: -14.056 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -8.660 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -10.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -148.471994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.471994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.471994 (E_RNA) where: Base-Base interactions energy: -82.423 where: short stacking energy: -45.246 Base-Backbone interact. energy: -0.220 local terms energy: -65.829537 where: bonds (distance) C4'-P energy: -14.213 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -14.424 flat angles P-C4'-P energy: -9.597 tors. eta vs tors. theta energy: -14.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -81.508243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.508243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.508243 (E_RNA) where: Base-Base interactions energy: -28.618 where: short stacking energy: -27.402 Base-Backbone interact. energy: 0.011 local terms energy: -52.901421 where: bonds (distance) C4'-P energy: -10.119 bonds (distance) P-C4' energy: -17.581 flat angles C4'-P-C4' energy: -12.643 flat angles P-C4'-P energy: -6.502 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: 7, replica: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -81.324572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.324572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.324572 (E_RNA) where: Base-Base interactions energy: -31.449 where: short stacking energy: -30.664 Base-Backbone interact. energy: -0.141 local terms energy: -49.734420 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -12.753 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -11.396 tors. eta vs tors. theta energy: -4.325 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: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -71.591904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.591904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.591904 (E_RNA) where: Base-Base interactions energy: -26.332 where: short stacking energy: -24.461 Base-Backbone interact. energy: -0.171 local terms energy: -45.089340 where: bonds (distance) C4'-P energy: -6.758 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -9.088 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -63.622336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.622336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.622336 (E_RNA) where: Base-Base interactions energy: -23.731 where: short stacking energy: -23.298 Base-Backbone interact. energy: -0.176 local terms energy: -39.715965 where: bonds (distance) C4'-P energy: -10.628 bonds (distance) P-C4' energy: -10.937 flat angles C4'-P-C4' energy: -8.604 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: 0.803 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: 10, replica: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -82.836869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.836869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.836869 (E_RNA) where: Base-Base interactions energy: -38.772 where: short stacking energy: -30.496 Base-Backbone interact. energy: 2.405 local terms energy: -46.470017 where: bonds (distance) C4'-P energy: -9.514 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -9.544 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -4.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -171.805490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.805490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.805490 (E_RNA) where: Base-Base interactions energy: -106.649 where: short stacking energy: -52.499 Base-Backbone interact. energy: -0.574 local terms energy: -64.581875 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -11.427 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -11.403 tors. eta vs tors. theta energy: -13.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -173.782146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.782146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.782146 (E_RNA) where: Base-Base interactions energy: -108.124 where: short stacking energy: -50.870 Base-Backbone interact. energy: -1.289 local terms energy: -64.369311 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -12.106 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -8.388 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: 3, replica: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -167.744888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.744888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.744888 (E_RNA) where: Base-Base interactions energy: -106.791 where: short stacking energy: -50.984 Base-Backbone interact. energy: -0.004 local terms energy: -60.949770 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -11.625 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: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -164.105258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.105258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.105258 (E_RNA) where: Base-Base interactions energy: -101.564 where: short stacking energy: -40.003 Base-Backbone interact. energy: -0.668 local terms energy: -61.872743 where: bonds (distance) C4'-P energy: -13.248 bonds (distance) P-C4' energy: -14.154 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -10.168 tors. eta vs tors. theta energy: -8.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -128.638149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.638149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.638149 (E_RNA) where: Base-Base interactions energy: -75.049 where: short stacking energy: -39.353 Base-Backbone interact. energy: -0.323 local terms energy: -53.265809 where: bonds (distance) C4'-P energy: -13.182 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -14.588 flat angles P-C4'-P energy: -7.204 tors. eta vs tors. theta energy: -5.679 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: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -86.956965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.956965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.956965 (E_RNA) where: Base-Base interactions energy: -34.682 where: short stacking energy: -34.432 Base-Backbone interact. energy: 0.216 local terms energy: -52.491050 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -16.662 flat angles C4'-P-C4' energy: -15.286 flat angles P-C4'-P energy: -1.488 tors. eta vs tors. theta energy: -5.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -85.599863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.599863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.599863 (E_RNA) where: Base-Base interactions energy: -44.469 where: short stacking energy: -44.469 Base-Backbone interact. energy: -0.093 local terms energy: -41.037790 where: bonds (distance) C4'-P energy: -5.204 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -1.502 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: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -80.358944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.358944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.358944 (E_RNA) where: Base-Base interactions energy: -29.640 where: short stacking energy: -25.152 Base-Backbone interact. energy: -0.169 local terms energy: -50.549585 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -9.170 flat angles P-C4'-P energy: -8.071 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: 9, replica: 2 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -75.215217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.215217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.215217 (E_RNA) where: Base-Base interactions energy: -28.633 where: short stacking energy: -10.183 Base-Backbone interact. energy: 0.930 local terms energy: -47.512257 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -11.626 tors. eta vs tors. theta energy: -0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -72.807238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.807238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.807238 (E_RNA) where: Base-Base interactions energy: -28.803 where: short stacking energy: -15.519 Base-Backbone interact. energy: -0.158 local terms energy: -43.846204 where: bonds (distance) C4'-P energy: -10.135 bonds (distance) P-C4' energy: -13.294 flat angles C4'-P-C4' energy: -11.123 flat angles P-C4'-P energy: -12.075 tors. eta vs tors. theta energy: 2.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -180.973952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.973952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.973952 (E_RNA) where: Base-Base interactions energy: -114.851 where: short stacking energy: -54.673 Base-Backbone interact. energy: -0.373 local terms energy: -65.750710 where: bonds (distance) C4'-P energy: -12.757 bonds (distance) P-C4' energy: -15.291 flat angles C4'-P-C4' energy: -9.856 flat angles P-C4'-P energy: -11.180 tors. eta vs tors. theta energy: -16.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -182.142117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.142117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.142117 (E_RNA) where: Base-Base interactions energy: -110.395 where: short stacking energy: -55.788 Base-Backbone interact. energy: -0.233 local terms energy: -71.514024 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -11.868 flat angles C4'-P-C4' energy: -15.725 flat angles P-C4'-P energy: -12.100 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: 3, replica: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -175.849157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.849157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.849157 (E_RNA) where: Base-Base interactions energy: -109.061 where: short stacking energy: -54.348 Base-Backbone interact. energy: -0.008 local terms energy: -66.779803 where: bonds (distance) C4'-P energy: -16.183 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -12.740 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -15.053 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: 6 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -157.557696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.557696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.557696 (E_RNA) where: Base-Base interactions energy: -94.978 where: short stacking energy: -52.047 Base-Backbone interact. energy: -0.539 local terms energy: -62.040955 where: bonds (distance) C4'-P energy: -15.989 bonds (distance) P-C4' energy: -9.695 flat angles C4'-P-C4' energy: -14.096 flat angles P-C4'-P energy: -9.106 tors. eta vs tors. theta energy: -13.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -138.285452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.285452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.285452 (E_RNA) where: Base-Base interactions energy: -87.912 where: short stacking energy: -35.498 Base-Backbone interact. energy: -0.303 local terms energy: -50.069916 where: bonds (distance) C4'-P energy: -8.888 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -5.727 tors. eta vs tors. theta energy: -7.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -89.587625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.587625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.587625 (E_RNA) where: Base-Base interactions energy: -35.166 where: short stacking energy: -35.166 Base-Backbone interact. energy: -0.079 local terms energy: -54.342775 where: bonds (distance) C4'-P energy: -9.924 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -11.391 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -7.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -78.476187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.476187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.476187 (E_RNA) where: Base-Base interactions energy: -28.901 where: short stacking energy: -28.901 Base-Backbone interact. energy: -0.099 local terms energy: -49.475786 where: bonds (distance) C4'-P energy: -11.151 bonds (distance) P-C4' energy: -12.470 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -8.918 tors. eta vs tors. theta energy: -4.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -78.328902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.328902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.328902 (E_RNA) where: Base-Base interactions energy: -31.729 where: short stacking energy: -31.729 Base-Backbone interact. energy: -0.015 local terms energy: -46.584493 where: bonds (distance) C4'-P energy: -9.490 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -84.886499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.886499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.886499 (E_RNA) where: Base-Base interactions energy: -32.390 where: short stacking energy: -32.067 Base-Backbone interact. energy: -0.363 local terms energy: -52.132630 where: bonds (distance) C4'-P energy: -15.943 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -12.220 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -4.161 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: 10, replica: 2 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -66.944985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.944985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.944985 (E_RNA) where: Base-Base interactions energy: -28.340 where: short stacking energy: -20.401 Base-Backbone interact. energy: -1.008 local terms energy: -37.597285 where: bonds (distance) C4'-P energy: -6.720 bonds (distance) P-C4' energy: -15.095 flat angles C4'-P-C4' energy: -3.675 flat angles P-C4'-P energy: -12.025 tors. eta vs tors. theta energy: -0.082 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: 1, replica: 1 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -181.495560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.495560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.495560 (E_RNA) where: Base-Base interactions energy: -123.819 where: short stacking energy: -55.981 Base-Backbone interact. energy: -0.790 local terms energy: -56.886462 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -15.600 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -15.299 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: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -187.018561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.018561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.018561 (E_RNA) where: Base-Base interactions energy: -119.148 where: short stacking energy: -52.510 Base-Backbone interact. energy: -0.022 local terms energy: -67.848936 where: bonds (distance) C4'-P energy: -15.516 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -13.598 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -17.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -178.636791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.636791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.636791 (E_RNA) where: Base-Base interactions energy: -110.570 where: short stacking energy: -57.955 Base-Backbone interact. energy: -1.097 local terms energy: -66.970242 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -11.719 flat angles C4'-P-C4' energy: -13.883 flat angles P-C4'-P energy: -11.030 tors. eta vs tors. theta energy: -17.627 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: 10 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -151.061075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.061075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.061075 (E_RNA) where: Base-Base interactions energy: -92.728 where: short stacking energy: -52.093 Base-Backbone interact. energy: -0.030 local terms energy: -58.303162 where: bonds (distance) C4'-P energy: -9.746 bonds (distance) P-C4' energy: -11.246 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -11.674 tors. eta vs tors. theta energy: -11.729 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: 6 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -156.714326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.714326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.714326 (E_RNA) where: Base-Base interactions energy: -96.370 where: short stacking energy: -41.205 Base-Backbone interact. energy: -0.219 local terms energy: -60.125477 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -11.592 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -90.434530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.434530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.434530 (E_RNA) where: Base-Base interactions energy: -41.752 where: short stacking energy: -30.199 Base-Backbone interact. energy: -0.002 local terms energy: -48.679859 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -8.709 tors. eta vs tors. theta energy: -6.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -88.675932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.675932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.675932 (E_RNA) where: Base-Base interactions energy: -32.372 where: short stacking energy: -31.259 Base-Backbone interact. energy: -0.128 local terms energy: -56.175192 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -11.156 flat angles P-C4'-P energy: -6.899 tors. eta vs tors. theta energy: -11.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -70.211159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.211159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.211159 (E_RNA) where: Base-Base interactions energy: -22.813 where: short stacking energy: -21.137 Base-Backbone interact. energy: -0.140 local terms energy: -47.257662 where: bonds (distance) C4'-P energy: -10.851 bonds (distance) P-C4' energy: -17.380 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: 1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -73.515973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.515973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.515973 (E_RNA) where: Base-Base interactions energy: -22.016 where: short stacking energy: -22.016 Base-Backbone interact. energy: -0.252 local terms energy: -51.247432 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -12.062 flat angles C4'-P-C4' energy: -11.719 flat angles P-C4'-P energy: -9.214 tors. eta vs tors. theta energy: -5.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -71.879022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.879022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.879022 (E_RNA) where: Base-Base interactions energy: -27.599 where: short stacking energy: -22.781 Base-Backbone interact. energy: -0.510 local terms energy: -43.769836 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -14.909 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -0.511 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -179.168813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.168813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.168813 (E_RNA) where: Base-Base interactions energy: -112.411 where: short stacking energy: -61.701 Base-Backbone interact. energy: -0.041 local terms energy: -66.716842 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -6.890 tors. eta vs tors. theta energy: -19.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -176.978750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.978750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.978750 (E_RNA) where: Base-Base interactions energy: -106.666 where: short stacking energy: -49.958 Base-Backbone interact. energy: -0.946 local terms energy: -69.367186 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -15.585 flat angles C4'-P-C4' energy: -15.434 flat angles P-C4'-P energy: -11.313 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: 3, replica: 3 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -173.283686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.283686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.283686 (E_RNA) where: Base-Base interactions energy: -118.705 where: short stacking energy: -61.689 Base-Backbone interact. energy: 2.017 local terms energy: -56.596186 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -11.636 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -6.552 tors. eta vs tors. theta energy: -13.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -134.463443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.463443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.463443 (E_RNA) where: Base-Base interactions energy: -80.359 where: short stacking energy: -34.668 Base-Backbone interact. energy: -0.452 local terms energy: -53.652264 where: bonds (distance) C4'-P energy: -15.136 bonds (distance) P-C4' energy: -13.481 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -5.732 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: 6 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -167.804284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.804284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.804284 (E_RNA) where: Base-Base interactions energy: -101.362 where: short stacking energy: -50.634 Base-Backbone interact. energy: -0.915 local terms energy: -65.527214 where: bonds (distance) C4'-P energy: -15.927 bonds (distance) P-C4' energy: -15.996 flat angles C4'-P-C4' energy: -14.123 flat angles P-C4'-P energy: -10.733 tors. eta vs tors. theta energy: -8.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -97.140549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.140549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.140549 (E_RNA) where: Base-Base interactions energy: -45.083 where: short stacking energy: -28.288 Base-Backbone interact. energy: 1.997 local terms energy: -54.054288 where: bonds (distance) C4'-P energy: -9.899 bonds (distance) P-C4' energy: -14.648 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -6.301 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: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -82.082293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.082293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.082293 (E_RNA) where: Base-Base interactions energy: -32.291 where: short stacking energy: -22.583 Base-Backbone interact. energy: -0.715 local terms energy: -49.075977 where: bonds (distance) C4'-P energy: -5.918 bonds (distance) P-C4' energy: -13.460 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -8.921 tors. eta vs tors. theta energy: -7.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -76.360991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.360991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.360991 (E_RNA) where: Base-Base interactions energy: -25.569 where: short stacking energy: -23.984 Base-Backbone interact. energy: -0.075 local terms energy: -50.717123 where: bonds (distance) C4'-P energy: -12.260 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -11.283 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -1.863 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: 2 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -91.093954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.093954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.093954 (E_RNA) where: Base-Base interactions energy: -41.301 where: short stacking energy: -35.865 Base-Backbone interact. energy: -0.430 local terms energy: -49.362968 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -7.854 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -7.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -80.604250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.604250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.604250 (E_RNA) where: Base-Base interactions energy: -31.478 where: short stacking energy: -23.303 Base-Backbone interact. energy: -0.257 local terms energy: -48.868495 where: bonds (distance) C4'-P energy: -8.932 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -10.111 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -6.690 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: 7 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -176.069165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.069165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.069165 (E_RNA) where: Base-Base interactions energy: -113.301 where: short stacking energy: -50.633 Base-Backbone interact. energy: -0.776 local terms energy: -61.991627 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -13.556 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -9.600 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: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -173.375656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.375656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.375656 (E_RNA) where: Base-Base interactions energy: -105.849 where: short stacking energy: -50.024 Base-Backbone interact. energy: -0.077 local terms energy: -67.449574 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -12.719 flat angles P-C4'-P energy: -7.616 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: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -180.332864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.332864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.332864 (E_RNA) where: Base-Base interactions energy: -118.885 where: short stacking energy: -52.034 Base-Backbone interact. energy: -0.545 local terms energy: -60.902681 where: bonds (distance) C4'-P energy: -15.488 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -15.542 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -12.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -163.447322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.447322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.447322 (E_RNA) where: Base-Base interactions energy: -98.915 where: short stacking energy: -52.164 Base-Backbone interact. energy: -0.232 local terms energy: -64.301270 where: bonds (distance) C4'-P energy: -11.175 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -15.165 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -14.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -133.127394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.127394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.127394 (E_RNA) where: Base-Base interactions energy: -78.013 where: short stacking energy: -37.651 Base-Backbone interact. energy: 0.662 local terms energy: -55.776515 where: bonds (distance) C4'-P energy: -11.053 bonds (distance) P-C4' energy: -13.148 flat angles C4'-P-C4' energy: -15.622 flat angles P-C4'-P energy: -9.774 tors. eta vs tors. theta energy: -6.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -86.298172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.298172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.298172 (E_RNA) where: Base-Base interactions energy: -39.008 where: short stacking energy: -24.934 Base-Backbone interact. energy: -0.072 local terms energy: -47.218371 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -6.512 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -78.618493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.618493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.618493 (E_RNA) where: Base-Base interactions energy: -28.296 where: short stacking energy: -27.536 Base-Backbone interact. energy: -0.025 local terms energy: -50.297153 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -10.108 flat angles C4'-P-C4' energy: -10.967 flat angles P-C4'-P energy: -11.248 tors. eta vs tors. theta energy: -3.107 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: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -92.047604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.047604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.047604 (E_RNA) where: Base-Base interactions energy: -51.491 where: short stacking energy: -21.395 Base-Backbone interact. energy: 1.403 local terms energy: -41.959300 where: bonds (distance) C4'-P energy: -9.064 bonds (distance) P-C4' energy: -10.837 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -9.266 tors. eta vs tors. theta energy: -0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -65.200918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.200918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.200918 (E_RNA) where: Base-Base interactions energy: -13.452 where: short stacking energy: -13.452 Base-Backbone interact. energy: -0.136 local terms energy: -51.612608 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -11.383 flat angles P-C4'-P energy: -11.173 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -70.335497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.335497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.335497 (E_RNA) where: Base-Base interactions energy: -23.091 where: short stacking energy: -23.391 Base-Backbone interact. energy: -0.907 local terms energy: -46.338286 where: bonds (distance) C4'-P energy: -13.255 bonds (distance) P-C4' energy: -11.709 flat angles C4'-P-C4' energy: -10.927 flat angles P-C4'-P energy: -7.514 tors. eta vs tors. theta energy: -2.933 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: 7 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -179.070089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.070089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.070089 (E_RNA) where: Base-Base interactions energy: -115.432 where: short stacking energy: -55.515 Base-Backbone interact. energy: -0.992 local terms energy: -62.645837 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -6.694 tors. eta vs tors. theta energy: -14.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -178.958934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.958934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.958934 (E_RNA) where: Base-Base interactions energy: -112.870 where: short stacking energy: -58.128 Base-Backbone interact. energy: -0.015 local terms energy: -66.073745 where: bonds (distance) C4'-P energy: -15.715 bonds (distance) P-C4' energy: -10.610 flat angles C4'-P-C4' energy: -14.356 flat angles P-C4'-P energy: -7.270 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: 3, replica: 6 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -174.390747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.390747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.390747 (E_RNA) where: Base-Base interactions energy: -113.022 where: short stacking energy: -41.190 Base-Backbone interact. energy: -0.800 local terms energy: -60.569651 where: bonds (distance) C4'-P energy: -14.118 bonds (distance) P-C4' energy: -17.063 flat angles C4'-P-C4' energy: -10.349 flat angles P-C4'-P energy: -11.426 tors. eta vs tors. theta energy: -7.613 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: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -170.534145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.534145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.534145 (E_RNA) where: Base-Base interactions energy: -101.891 where: short stacking energy: -54.088 Base-Backbone interact. energy: -0.077 local terms energy: -68.565630 where: bonds (distance) C4'-P energy: -13.331 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -11.047 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: 5, replica: 10 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -143.204490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.204490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.204490 (E_RNA) where: Base-Base interactions energy: -88.066 where: short stacking energy: -43.866 Base-Backbone interact. energy: -0.179 local terms energy: -54.960210 where: bonds (distance) C4'-P energy: -10.425 bonds (distance) P-C4' energy: -15.631 flat angles C4'-P-C4' energy: -12.216 flat angles P-C4'-P energy: -10.484 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -89.825057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.825057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.825057 (E_RNA) where: Base-Base interactions energy: -34.581 where: short stacking energy: -33.208 Base-Backbone interact. energy: 1.038 local terms energy: -56.282133 where: bonds (distance) C4'-P energy: -13.012 bonds (distance) P-C4' energy: -12.234 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -10.129 tors. eta vs tors. theta energy: -7.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -88.026670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.026670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.026670 (E_RNA) where: Base-Base interactions energy: -42.320 where: short stacking energy: -35.968 Base-Backbone interact. energy: -0.038 local terms energy: -45.668507 where: bonds (distance) C4'-P energy: -12.015 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -11.393 flat angles P-C4'-P energy: -6.688 tors. eta vs tors. theta energy: -4.734 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: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -75.407722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.407722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.407722 (E_RNA) where: Base-Base interactions energy: -25.445 where: short stacking energy: -23.168 Base-Backbone interact. energy: -0.282 local terms energy: -49.681205 where: bonds (distance) C4'-P energy: -13.661 bonds (distance) P-C4' energy: -10.982 flat angles C4'-P-C4' energy: -10.481 flat angles P-C4'-P energy: -9.459 tors. eta vs tors. theta energy: -5.097 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: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -68.465916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.465916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.465916 (E_RNA) where: Base-Base interactions energy: -21.603 where: short stacking energy: -20.618 Base-Backbone interact. energy: 0.446 local terms energy: -47.308519 where: bonds (distance) C4'-P energy: -13.207 bonds (distance) P-C4' energy: -13.921 flat angles C4'-P-C4' energy: -10.757 flat angles P-C4'-P energy: -7.033 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: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -65.617029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.617029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.617029 (E_RNA) where: Base-Base interactions energy: -24.522 where: short stacking energy: -23.575 Base-Backbone interact. energy: -0.084 local terms energy: -41.011707 where: bonds (distance) C4'-P energy: -10.375 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -9.023 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: 0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -176.773724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.773724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.773724 (E_RNA) where: Base-Base interactions energy: -113.463 where: short stacking energy: -57.215 Base-Backbone interact. energy: -0.165 local terms energy: -63.145755 where: bonds (distance) C4'-P energy: -9.295 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -11.056 tors. eta vs tors. theta energy: -16.100 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: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -170.035254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.035254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.035254 (E_RNA) where: Base-Base interactions energy: -109.750 where: short stacking energy: -54.635 Base-Backbone interact. energy: -0.016 local terms energy: -60.269039 where: bonds (distance) C4'-P energy: -11.132 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -16.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -164.362444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.362444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.362444 (E_RNA) where: Base-Base interactions energy: -98.593 where: short stacking energy: -45.838 Base-Backbone interact. energy: -0.015 local terms energy: -65.754494 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -12.903 flat angles P-C4'-P energy: -11.867 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: 4, replica: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -174.481567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.481567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.481567 (E_RNA) where: Base-Base interactions energy: -101.299 where: short stacking energy: -59.175 Base-Backbone interact. energy: -0.061 local terms energy: -73.121980 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -14.512 flat angles C4'-P-C4' energy: -14.437 flat angles P-C4'-P energy: -13.034 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: 59 Temperature: 1.100000 Total energy: -137.580255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.580255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.580255 (E_RNA) where: Base-Base interactions energy: -87.055 where: short stacking energy: -39.273 Base-Backbone interact. energy: -0.102 local terms energy: -50.423913 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -10.249 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -6.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -105.565029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.565029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.565029 (E_RNA) where: Base-Base interactions energy: -51.693 where: short stacking energy: -25.017 Base-Backbone interact. energy: -1.022 local terms energy: -52.849990 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -11.333 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -5.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -84.338935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.338935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.338935 (E_RNA) where: Base-Base interactions energy: -31.933 where: short stacking energy: -31.151 Base-Backbone interact. energy: -0.001 local terms energy: -52.404962 where: bonds (distance) C4'-P energy: -10.905 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -10.129 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -6.968 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: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -79.509325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.509325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.509325 (E_RNA) where: Base-Base interactions energy: -36.936 where: short stacking energy: -33.972 Base-Backbone interact. energy: -0.094 local terms energy: -42.479302 where: bonds (distance) C4'-P energy: -6.923 bonds (distance) P-C4' energy: -13.029 flat angles C4'-P-C4' energy: -13.385 flat angles P-C4'-P energy: -5.148 tors. eta vs tors. theta energy: -3.993 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: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -78.586545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.586545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.586545 (E_RNA) where: Base-Base interactions energy: -38.283 where: short stacking energy: -23.184 Base-Backbone interact. energy: -0.057 local terms energy: -40.246181 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -11.056 flat angles C4'-P-C4' energy: -10.070 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -68.665031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.665031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.665031 (E_RNA) where: Base-Base interactions energy: -29.115 where: short stacking energy: -23.135 Base-Backbone interact. energy: -0.211 local terms energy: -39.339093 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -12.693 flat angles C4'-P-C4' energy: -9.447 flat angles P-C4'-P energy: -5.989 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: 7 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -176.190950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.190950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.190950 (E_RNA) where: Base-Base interactions energy: -110.927 where: short stacking energy: -50.039 Base-Backbone interact. energy: -0.018 local terms energy: -65.245852 where: bonds (distance) C4'-P energy: -15.324 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -8.574 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: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -175.574067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.574067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.574067 (E_RNA) where: Base-Base interactions energy: -117.493 where: short stacking energy: -41.030 Base-Backbone interact. energy: -1.329 local terms energy: -56.751965 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -15.196 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -9.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -173.427554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.427554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.427554 (E_RNA) where: Base-Base interactions energy: -108.055 where: short stacking energy: -57.185 Base-Backbone interact. energy: -0.506 local terms energy: -64.866070 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -14.666 flat angles P-C4'-P energy: -6.607 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: 4, replica: 6 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -163.857795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.857795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.857795 (E_RNA) where: Base-Base interactions energy: -105.473 where: short stacking energy: -50.535 Base-Backbone interact. energy: 0.090 local terms energy: -58.475342 where: bonds (distance) C4'-P energy: -13.695 bonds (distance) P-C4' energy: -16.401 flat angles C4'-P-C4' energy: -10.066 flat angles P-C4'-P energy: -10.566 tors. eta vs tors. theta energy: -7.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -143.936035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.936035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.936035 (E_RNA) where: Base-Base interactions energy: -80.733 where: short stacking energy: -42.707 Base-Backbone interact. energy: -0.114 local terms energy: -63.088086 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -15.307 flat angles P-C4'-P energy: -10.971 tors. eta vs tors. theta energy: -8.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -92.555943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.555943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.555943 (E_RNA) where: Base-Base interactions energy: -48.651 where: short stacking energy: -41.971 Base-Backbone interact. energy: -0.883 local terms energy: -43.022354 where: bonds (distance) C4'-P energy: -1.274 bonds (distance) P-C4' energy: -12.536 flat angles C4'-P-C4' energy: -14.142 flat angles P-C4'-P energy: -10.010 tors. eta vs tors. theta energy: -5.060 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: 4 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -83.548038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.548038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.548038 (E_RNA) where: Base-Base interactions energy: -33.380 where: short stacking energy: -24.445 Base-Backbone interact. energy: -0.210 local terms energy: -49.957711 where: bonds (distance) C4'-P energy: -10.396 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -8.300 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: 8, replica: 5 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -67.712874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.712874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.712874 (E_RNA) where: Base-Base interactions energy: -29.860 where: short stacking energy: -15.245 Base-Backbone interact. energy: -0.303 local terms energy: -37.549454 where: bonds (distance) C4'-P energy: -11.745 bonds (distance) P-C4' energy: -10.341 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -12.124 tors. eta vs tors. theta energy: 5.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -72.132415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.132415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.132415 (E_RNA) where: Base-Base interactions energy: -18.051 where: short stacking energy: -18.049 Base-Backbone interact. energy: 0.301 local terms energy: -54.382509 where: bonds (distance) C4'-P energy: -11.496 bonds (distance) P-C4' energy: -12.729 flat angles C4'-P-C4' energy: -14.622 flat angles P-C4'-P energy: -9.212 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -78.278663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.278663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.278663 (E_RNA) where: Base-Base interactions energy: -23.446 where: short stacking energy: -23.446 Base-Backbone interact. energy: -0.014 local terms energy: -54.817899 where: bonds (distance) C4'-P energy: -15.182 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -172.874842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.874842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.874842 (E_RNA) where: Base-Base interactions energy: -112.123 where: short stacking energy: -55.596 Base-Backbone interact. energy: -0.861 local terms energy: -59.890974 where: bonds (distance) C4'-P energy: -15.604 bonds (distance) P-C4' energy: -11.043 flat angles C4'-P-C4' energy: -10.794 flat angles P-C4'-P energy: -7.537 tors. eta vs tors. theta energy: -14.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -177.804031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.804031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.804031 (E_RNA) where: Base-Base interactions energy: -115.514 where: short stacking energy: -49.251 Base-Backbone interact. energy: -0.648 local terms energy: -61.642102 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -7.638 tors. eta vs tors. theta energy: -11.485 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: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -171.628762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.628762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.628762 (E_RNA) where: Base-Base interactions energy: -105.928 where: short stacking energy: -52.779 Base-Backbone interact. energy: -0.591 local terms energy: -65.109659 where: bonds (distance) C4'-P energy: -15.881 bonds (distance) P-C4' energy: -14.944 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: -14.580 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: 6 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -162.050165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.050165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.050165 (E_RNA) where: Base-Base interactions energy: -103.881 where: short stacking energy: -45.081 Base-Backbone interact. energy: -0.153 local terms energy: -58.015666 where: bonds (distance) C4'-P energy: -12.915 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -7.751 flat angles P-C4'-P energy: -12.566 tors. eta vs tors. theta energy: -9.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -138.405495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.405495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.405495 (E_RNA) where: Base-Base interactions energy: -80.991 where: short stacking energy: -36.040 Base-Backbone interact. energy: 0.002 local terms energy: -57.416433 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -13.083 flat angles C4'-P-C4' energy: -12.529 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -12.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -131.036545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.036545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.036545 (E_RNA) where: Base-Base interactions energy: -83.878 where: short stacking energy: -36.064 Base-Backbone interact. energy: -0.186 local terms energy: -46.972633 where: bonds (distance) C4'-P energy: -7.841 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -12.941 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -6.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -82.938256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.938256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.938256 (E_RNA) where: Base-Base interactions energy: -34.004 where: short stacking energy: -28.366 Base-Backbone interact. energy: -0.102 local terms energy: -48.832550 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -5.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -77.597692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.597692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.597692 (E_RNA) where: Base-Base interactions energy: -36.835 where: short stacking energy: -36.839 Base-Backbone interact. energy: 1.033 local terms energy: -41.795454 where: bonds (distance) C4'-P energy: -9.081 bonds (distance) P-C4' energy: -10.110 flat angles C4'-P-C4' energy: -10.244 flat angles P-C4'-P energy: -9.174 tors. eta vs tors. theta energy: -3.186 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: 9, replica: 5 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -93.426396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.426396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.426396 (E_RNA) where: Base-Base interactions energy: -53.660 where: short stacking energy: -17.672 Base-Backbone interact. energy: -0.399 local terms energy: -39.367350 where: bonds (distance) C4'-P energy: -10.421 bonds (distance) P-C4' energy: -8.289 flat angles C4'-P-C4' energy: -12.169 flat angles P-C4'-P energy: -5.711 tors. eta vs tors. theta energy: -2.777 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: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -73.267841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.267841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.267841 (E_RNA) where: Base-Base interactions energy: -29.591 where: short stacking energy: -28.697 Base-Backbone interact. energy: -0.228 local terms energy: -43.449151 where: bonds (distance) C4'-P energy: -9.944 bonds (distance) P-C4' energy: -11.945 flat angles C4'-P-C4' energy: -10.626 flat angles P-C4'-P energy: -7.855 tors. eta vs tors. theta energy: -3.080 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: 7 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -172.447322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.447322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.447322 (E_RNA) where: Base-Base interactions energy: -111.464 where: short stacking energy: -46.468 Base-Backbone interact. energy: -0.934 local terms energy: -60.049333 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -16.088 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -8.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -173.165751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.165751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.165751 (E_RNA) where: Base-Base interactions energy: -113.848 where: short stacking energy: -52.075 Base-Backbone interact. energy: -0.610 local terms energy: -58.707486 where: bonds (distance) C4'-P energy: -9.997 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -14.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -172.384793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.384793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.384793 (E_RNA) where: Base-Base interactions energy: -109.990 where: short stacking energy: -44.623 Base-Backbone interact. energy: -0.394 local terms energy: -62.000628 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -12.946 flat angles P-C4'-P energy: -10.248 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: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -157.672102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.672102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.672102 (E_RNA) where: Base-Base interactions energy: -98.840 where: short stacking energy: -47.389 Base-Backbone interact. energy: -0.452 local terms energy: -58.380269 where: bonds (distance) C4'-P energy: -13.025 bonds (distance) P-C4' energy: -13.806 flat angles C4'-P-C4' energy: -9.161 flat angles P-C4'-P energy: -10.864 tors. eta vs tors. theta energy: -11.525 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: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -137.965327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.965327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.965327 (E_RNA) where: Base-Base interactions energy: -78.369 where: short stacking energy: -41.663 Base-Backbone interact. energy: -0.017 local terms energy: -59.580018 where: bonds (distance) C4'-P energy: -11.940 bonds (distance) P-C4' energy: -15.157 flat angles C4'-P-C4' energy: -12.624 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -10.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -130.507035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.507035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.507035 (E_RNA) where: Base-Base interactions energy: -78.589 where: short stacking energy: -42.693 Base-Backbone interact. energy: -0.044 local terms energy: -51.873905 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -15.785 flat angles C4'-P-C4' energy: -11.100 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -11.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -97.324512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.324512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.324512 (E_RNA) where: Base-Base interactions energy: -52.062 where: short stacking energy: -34.116 Base-Backbone interact. energy: 0.408 local terms energy: -45.671061 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -70.936626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.936626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.936626 (E_RNA) where: Base-Base interactions energy: -20.217 where: short stacking energy: -19.527 Base-Backbone interact. energy: -0.193 local terms energy: -50.526096 where: bonds (distance) C4'-P energy: -15.413 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -12.884 flat angles P-C4'-P energy: -6.223 tors. eta vs tors. theta energy: -5.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -88.683649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.683649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.683649 (E_RNA) where: Base-Base interactions energy: -35.068 where: short stacking energy: -30.273 Base-Backbone interact. energy: -0.157 local terms energy: -53.457872 where: bonds (distance) C4'-P energy: -12.474 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -11.452 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: -8.847 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: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -79.315332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.315332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.315332 (E_RNA) where: Base-Base interactions energy: -43.782 where: short stacking energy: -18.712 Base-Backbone interact. energy: 0.392 local terms energy: -35.924984 where: bonds (distance) C4'-P energy: -7.996 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -11.301 flat angles P-C4'-P energy: -5.104 tors. eta vs tors. theta energy: 1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -179.075975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.075975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.075975 (E_RNA) where: Base-Base interactions energy: -112.539 where: short stacking energy: -57.473 Base-Backbone interact. energy: -0.015 local terms energy: -66.522512 where: bonds (distance) C4'-P energy: -10.239 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -15.341 flat angles P-C4'-P energy: -8.217 tors. eta vs tors. theta energy: -16.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -170.682795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.682795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.682795 (E_RNA) where: Base-Base interactions energy: -111.100 where: short stacking energy: -50.610 Base-Backbone interact. energy: -0.283 local terms energy: -59.299320 where: bonds (distance) C4'-P energy: -15.563 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -14.636 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -9.062 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: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -170.478133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.478133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.478133 (E_RNA) where: Base-Base interactions energy: -112.961 where: short stacking energy: -36.323 Base-Backbone interact. energy: -0.175 local terms energy: -57.342895 where: bonds (distance) C4'-P energy: -14.105 bonds (distance) P-C4' energy: -12.320 flat angles C4'-P-C4' energy: -12.628 flat angles P-C4'-P energy: -7.425 tors. eta vs tors. theta energy: -10.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -144.912207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.912207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.912207 (E_RNA) where: Base-Base interactions energy: -77.891 where: short stacking energy: -46.098 Base-Backbone interact. energy: -0.259 local terms energy: -66.761998 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -15.655 flat angles P-C4'-P energy: -11.163 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: 5, replica: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -163.078064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.078064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.078064 (E_RNA) where: Base-Base interactions energy: -99.972 where: short stacking energy: -40.694 Base-Backbone interact. energy: 0.739 local terms energy: -63.844781 where: bonds (distance) C4'-P energy: -15.153 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -12.772 flat angles P-C4'-P energy: -6.551 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: 10 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -151.277991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.277991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.277991 (E_RNA) where: Base-Base interactions energy: -97.846 where: short stacking energy: -55.825 Base-Backbone interact. energy: 3.568 local terms energy: -56.999680 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -11.871 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -5.148 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: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -89.645549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.645549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.645549 (E_RNA) where: Base-Base interactions energy: -35.528 where: short stacking energy: -35.528 Base-Backbone interact. energy: -0.087 local terms energy: -54.030736 where: bonds (distance) C4'-P energy: -14.817 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -7.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -80.188271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.188271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.188271 (E_RNA) where: Base-Base interactions energy: -35.049 where: short stacking energy: -32.644 Base-Backbone interact. energy: -0.239 local terms energy: -44.900947 where: bonds (distance) C4'-P energy: -13.885 bonds (distance) P-C4' energy: -12.073 flat angles C4'-P-C4' energy: -15.549 flat angles P-C4'-P energy: 2.206 tors. eta vs tors. theta energy: -5.600 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: 9, replica: 2 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -73.894209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.894209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.894209 (E_RNA) where: Base-Base interactions energy: -27.953 where: short stacking energy: -27.953 Base-Backbone interact. energy: -0.205 local terms energy: -45.735850 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -10.431 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -4.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -69.893870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.893870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.893870 (E_RNA) where: Base-Base interactions energy: -26.675 where: short stacking energy: -26.537 Base-Backbone interact. energy: -0.225 local terms energy: -42.994236 where: bonds (distance) C4'-P energy: -14.607 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -8.592 tors. eta vs tors. theta energy: 1.070 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: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -177.604113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.604113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.604113 (E_RNA) where: Base-Base interactions energy: -110.220 where: short stacking energy: -54.687 Base-Backbone interact. energy: -1.249 local terms energy: -66.135034 where: bonds (distance) C4'-P energy: -14.333 bonds (distance) P-C4' energy: -15.791 flat angles C4'-P-C4' energy: -13.395 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -15.408 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: 7 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -171.419853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.419853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.419853 (E_RNA) where: Base-Base interactions energy: -108.440 where: short stacking energy: -51.357 Base-Backbone interact. energy: -0.005 local terms energy: -62.975434 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -12.918 flat angles C4'-P-C4' energy: -15.041 flat angles P-C4'-P energy: -5.737 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: 3, replica: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -176.075331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.075331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.075331 (E_RNA) where: Base-Base interactions energy: -122.813 where: short stacking energy: -46.118 Base-Backbone interact. energy: -0.133 local terms energy: -53.129040 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -14.427 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -8.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -136.306995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.306995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.306995 (E_RNA) where: Base-Base interactions energy: -79.774 where: short stacking energy: -44.072 Base-Backbone interact. energy: -0.093 local terms energy: -56.440445 where: bonds (distance) C4'-P energy: -10.172 bonds (distance) P-C4' energy: -15.043 flat angles C4'-P-C4' energy: -14.043 flat angles P-C4'-P energy: -7.606 tors. eta vs tors. theta energy: -9.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -146.586692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.586692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.586692 (E_RNA) where: Base-Base interactions energy: -92.346 where: short stacking energy: -37.960 Base-Backbone interact. energy: -0.231 local terms energy: -54.009595 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -10.471 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -9.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -151.813292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.813292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.813292 (E_RNA) where: Base-Base interactions energy: -100.053 where: short stacking energy: -41.202 Base-Backbone interact. energy: -0.356 local terms energy: -51.403841 where: bonds (distance) C4'-P energy: -10.574 bonds (distance) P-C4' energy: -10.098 flat angles C4'-P-C4' energy: -11.749 flat angles P-C4'-P energy: -7.016 tors. eta vs tors. theta energy: -11.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -88.274442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.274442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.274442 (E_RNA) where: Base-Base interactions energy: -41.845 where: short stacking energy: -24.207 Base-Backbone interact. energy: -0.631 local terms energy: -45.798130 where: bonds (distance) C4'-P energy: -10.547 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -16.350 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: 0.405 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: 8 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -77.298571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.298571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.298571 (E_RNA) where: Base-Base interactions energy: -28.596 where: short stacking energy: -26.790 Base-Backbone interact. energy: -0.058 local terms energy: -48.645236 where: bonds (distance) C4'-P energy: -14.333 bonds (distance) P-C4' energy: -10.620 flat angles C4'-P-C4' energy: -10.928 flat angles P-C4'-P energy: -8.788 tors. eta vs tors. theta energy: -3.976 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: 5 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -82.336158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.336158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.336158 (E_RNA) where: Base-Base interactions energy: -38.217 where: short stacking energy: -16.817 Base-Backbone interact. energy: -0.169 local terms energy: -43.949654 where: bonds (distance) C4'-P energy: -12.785 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -10.836 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -72.455406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.455406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.455406 (E_RNA) where: Base-Base interactions energy: -24.483 where: short stacking energy: -18.702 Base-Backbone interact. energy: -0.121 local terms energy: -47.851542 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -16.333 flat angles C4'-P-C4' energy: -15.301 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: 1.407 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: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -195.773085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.773085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.773085 (E_RNA) where: Base-Base interactions energy: -124.926 where: short stacking energy: -55.879 Base-Backbone interact. energy: -0.099 local terms energy: -70.748958 where: bonds (distance) C4'-P energy: -14.994 bonds (distance) P-C4' energy: -11.805 flat angles C4'-P-C4' energy: -14.894 flat angles P-C4'-P energy: -8.476 tors. eta vs tors. theta energy: -20.580 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: 2, replica: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -170.002119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.002119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.002119 (E_RNA) where: Base-Base interactions energy: -105.011 where: short stacking energy: -53.389 Base-Backbone interact. energy: 1.830 local terms energy: -66.821580 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -19.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -167.634035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.634035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.634035 (E_RNA) where: Base-Base interactions energy: -106.491 where: short stacking energy: -52.492 Base-Backbone interact. energy: -0.370 local terms energy: -60.772692 where: bonds (distance) C4'-P energy: -7.821 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -11.136 flat angles P-C4'-P energy: -10.777 tors. eta vs tors. theta energy: -17.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -139.148760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.148760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.148760 (E_RNA) where: Base-Base interactions energy: -77.144 where: short stacking energy: -44.075 Base-Backbone interact. energy: -0.153 local terms energy: -61.851253 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -8.237 tors. eta vs tors. theta energy: -13.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -135.622153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.622153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.622153 (E_RNA) where: Base-Base interactions energy: -81.459 where: short stacking energy: -41.674 Base-Backbone interact. energy: -0.310 local terms energy: -53.853301 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -11.792 flat angles P-C4'-P energy: -7.783 tors. eta vs tors. theta energy: -5.312 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: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -165.016802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.016802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.016802 (E_RNA) where: Base-Base interactions energy: -107.341 where: short stacking energy: -48.086 Base-Backbone interact. energy: -0.114 local terms energy: -57.561453 where: bonds (distance) C4'-P energy: -13.438 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -17.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -99.866835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.866835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.866835 (E_RNA) where: Base-Base interactions energy: -52.148 where: short stacking energy: -30.579 Base-Backbone interact. energy: -0.403 local terms energy: -47.315572 where: bonds (distance) C4'-P energy: -12.159 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -90.590543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.590543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.590543 (E_RNA) where: Base-Base interactions energy: -45.206 where: short stacking energy: -28.178 Base-Backbone interact. energy: -0.071 local terms energy: -45.313773 where: bonds (distance) C4'-P energy: -14.788 bonds (distance) P-C4' energy: -11.719 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -6.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -81.673637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.673637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.673637 (E_RNA) where: Base-Base interactions energy: -41.444 where: short stacking energy: -31.350 Base-Backbone interact. energy: -0.367 local terms energy: -39.862426 where: bonds (distance) C4'-P energy: -7.201 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -10.011 flat angles P-C4'-P energy: -6.427 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: 10, replica: 2 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -69.461480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.461480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.461480 (E_RNA) where: Base-Base interactions energy: -29.082 where: short stacking energy: -19.115 Base-Backbone interact. energy: -0.364 local terms energy: -40.015514 where: bonds (distance) C4'-P energy: -7.966 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -12.900 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: 0.239 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: 1, replica: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -184.263705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.263705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.263705 (E_RNA) where: Base-Base interactions energy: -112.234 where: short stacking energy: -56.758 Base-Backbone interact. energy: -0.035 local terms energy: -71.994677 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -15.159 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -9.351 tors. eta vs tors. theta energy: -19.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -173.955260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.955260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.955260 (E_RNA) where: Base-Base interactions energy: -111.849 where: short stacking energy: -50.486 Base-Backbone interact. energy: -0.103 local terms energy: -62.003851 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -15.606 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: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -151.436537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.436537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.436537 (E_RNA) where: Base-Base interactions energy: -89.129 where: short stacking energy: -42.494 Base-Backbone interact. energy: 4.193 local terms energy: -66.500630 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -14.749 flat angles P-C4'-P energy: -11.175 tors. eta vs tors. theta energy: -12.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -163.983864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.983864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.983864 (E_RNA) where: Base-Base interactions energy: -113.877 where: short stacking energy: -53.041 Base-Backbone interact. energy: 1.010 local terms energy: -51.116281 where: bonds (distance) C4'-P energy: -10.582 bonds (distance) P-C4' energy: -9.598 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -12.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -143.999654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.999654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.999654 (E_RNA) where: Base-Base interactions energy: -81.624 where: short stacking energy: -49.385 Base-Backbone interact. energy: 0.382 local terms energy: -62.757338 where: bonds (distance) C4'-P energy: -11.800 bonds (distance) P-C4' energy: -14.645 flat angles C4'-P-C4' energy: -14.567 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: -13.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -141.367150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.367150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.367150 (E_RNA) where: Base-Base interactions energy: -89.065 where: short stacking energy: -42.637 Base-Backbone interact. energy: 0.693 local terms energy: -52.995152 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -11.712 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -6.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -83.542633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.542633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.542633 (E_RNA) where: Base-Base interactions energy: -34.337 where: short stacking energy: -34.337 Base-Backbone interact. energy: -0.197 local terms energy: -49.008240 where: bonds (distance) C4'-P energy: -12.710 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -14.412 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -3.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -79.141542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.141542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.141542 (E_RNA) where: Base-Base interactions energy: -30.587 where: short stacking energy: -19.168 Base-Backbone interact. energy: -0.210 local terms energy: -48.344621 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -11.408 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -76.222355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.222355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.222355 (E_RNA) where: Base-Base interactions energy: -31.684 where: short stacking energy: -18.276 Base-Backbone interact. energy: -0.431 local terms energy: -44.107492 where: bonds (distance) C4'-P energy: -11.841 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -9.447 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -61.243224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.243224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.243224 (E_RNA) where: Base-Base interactions energy: -19.257 where: short stacking energy: -19.250 Base-Backbone interact. energy: 0.976 local terms energy: -42.962140 where: bonds (distance) C4'-P energy: -11.407 bonds (distance) P-C4' energy: -13.062 flat angles C4'-P-C4' energy: -10.704 flat angles P-C4'-P energy: -8.027 tors. eta vs tors. theta energy: 0.237 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: 1, replica: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -184.734301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.734301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.734301 (E_RNA) where: Base-Base interactions energy: -115.103 where: short stacking energy: -56.378 Base-Backbone interact. energy: -1.552 local terms energy: -68.079586 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -16.164 flat angles P-C4'-P energy: -8.655 tors. eta vs tors. theta energy: -17.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -177.613404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.613404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.613404 (E_RNA) where: Base-Base interactions energy: -106.399 where: short stacking energy: -61.673 Base-Backbone interact. energy: -1.012 local terms energy: -70.202177 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -16.558 flat angles P-C4'-P energy: -11.902 tors. eta vs tors. theta energy: -16.762 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: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -142.088604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.088604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.088604 (E_RNA) where: Base-Base interactions energy: -82.413 where: short stacking energy: -41.147 Base-Backbone interact. energy: -0.125 local terms energy: -59.550419 where: bonds (distance) C4'-P energy: -11.196 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -11.035 flat angles P-C4'-P energy: -11.331 tors. eta vs tors. theta energy: -11.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -155.228935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.228935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.228935 (E_RNA) where: Base-Base interactions energy: -89.087 where: short stacking energy: -54.782 Base-Backbone interact. energy: -0.160 local terms energy: -65.981479 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -10.735 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: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -167.164905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.164905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.164905 (E_RNA) where: Base-Base interactions energy: -104.965 where: short stacking energy: -46.075 Base-Backbone interact. energy: -0.120 local terms energy: -62.080117 where: bonds (distance) C4'-P energy: -11.559 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -17.817 flat angles P-C4'-P energy: -7.413 tors. eta vs tors. theta energy: -10.765 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: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -132.821365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.821365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.821365 (E_RNA) where: Base-Base interactions energy: -80.399 where: short stacking energy: -31.669 Base-Backbone interact. energy: -0.122 local terms energy: -52.299936 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -10.595 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -10.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -93.618780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.618780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.618780 (E_RNA) where: Base-Base interactions energy: -42.461 where: short stacking energy: -25.363 Base-Backbone interact. energy: 0.567 local terms energy: -51.724922 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -15.184 flat angles C4'-P-C4' energy: -13.605 flat angles P-C4'-P energy: -7.573 tors. eta vs tors. theta energy: -5.273 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: 67 Temperature: 1.250000 Total energy: -94.306594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.306594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.306594 (E_RNA) where: Base-Base interactions energy: -51.251 where: short stacking energy: -22.545 Base-Backbone interact. energy: -0.883 local terms energy: -42.172728 where: bonds (distance) C4'-P energy: -12.515 bonds (distance) P-C4' energy: -11.150 flat angles C4'-P-C4' energy: -9.548 flat angles P-C4'-P energy: -4.326 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: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -90.209660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.209660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.209660 (E_RNA) where: Base-Base interactions energy: -39.257 where: short stacking energy: -13.864 Base-Backbone interact. energy: 0.390 local terms energy: -51.343509 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -12.187 flat angles P-C4'-P energy: -5.125 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: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -69.236264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.236264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.236264 (E_RNA) where: Base-Base interactions energy: -22.896 where: short stacking energy: -22.896 Base-Backbone interact. energy: -0.354 local terms energy: -45.985707 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -15.398 flat angles C4'-P-C4' energy: -11.858 flat angles P-C4'-P energy: -8.353 tors. eta vs tors. theta energy: 0.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -181.205400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.205400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.205400 (E_RNA) where: Base-Base interactions energy: -109.054 where: short stacking energy: -57.483 Base-Backbone interact. energy: 1.010 local terms energy: -73.161964 where: bonds (distance) C4'-P energy: -14.722 bonds (distance) P-C4' energy: -12.718 flat angles C4'-P-C4' energy: -15.990 flat angles P-C4'-P energy: -10.442 tors. eta vs tors. theta energy: -19.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -174.581759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.581759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.581759 (E_RNA) where: Base-Base interactions energy: -110.410 where: short stacking energy: -58.533 Base-Backbone interact. energy: 0.403 local terms energy: -64.574221 where: bonds (distance) C4'-P energy: -15.339 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -11.787 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -14.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -148.793250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.793250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.793250 (E_RNA) where: Base-Base interactions energy: -82.509 where: short stacking energy: -46.190 Base-Backbone interact. energy: -0.311 local terms energy: -65.972518 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -15.663 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -13.893 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: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -147.189612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.189612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.189612 (E_RNA) where: Base-Base interactions energy: -83.441 where: short stacking energy: -43.916 Base-Backbone interact. energy: -0.093 local terms energy: -63.655559 where: bonds (distance) C4'-P energy: -14.330 bonds (distance) P-C4' energy: -12.635 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -12.584 tors. eta vs tors. theta energy: -10.051 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: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -163.675851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.675851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.675851 (E_RNA) where: Base-Base interactions energy: -105.453 where: short stacking energy: -56.136 Base-Backbone interact. energy: -0.356 local terms energy: -57.866795 where: bonds (distance) C4'-P energy: -9.969 bonds (distance) P-C4' energy: -12.163 flat angles C4'-P-C4' energy: -12.297 flat angles P-C4'-P energy: -6.622 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: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -160.473953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.473953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.473953 (E_RNA) where: Base-Base interactions energy: -100.589 where: short stacking energy: -57.599 Base-Backbone interact. energy: -0.087 local terms energy: -59.798166 where: bonds (distance) C4'-P energy: -14.967 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -11.033 flat angles P-C4'-P energy: -7.722 tors. eta vs tors. theta energy: -13.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -85.657341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.657341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.657341 (E_RNA) where: Base-Base interactions energy: -33.841 where: short stacking energy: -33.841 Base-Backbone interact. energy: -0.002 local terms energy: -51.814103 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -11.354 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -9.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -76.932323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.932323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.932323 (E_RNA) where: Base-Base interactions energy: -29.370 where: short stacking energy: -27.318 Base-Backbone interact. energy: -0.202 local terms energy: -47.360143 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -11.475 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -7.121 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: 8 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -69.779651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.779651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.779651 (E_RNA) where: Base-Base interactions energy: -21.998 where: short stacking energy: -21.998 Base-Backbone interact. energy: -0.514 local terms energy: -47.268328 where: bonds (distance) C4'-P energy: -11.724 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -1.640 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: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -80.361144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.361144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.361144 (E_RNA) where: Base-Base interactions energy: -30.673 where: short stacking energy: -20.722 Base-Backbone interact. energy: 0.051 local terms energy: -49.738851 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -11.410 flat angles P-C4'-P energy: -9.458 tors. eta vs tors. theta energy: 0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -184.508059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.508059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.508059 (E_RNA) where: Base-Base interactions energy: -116.288 where: short stacking energy: -69.532 Base-Backbone interact. energy: -0.054 local terms energy: -68.165770 where: bonds (distance) C4'-P energy: -11.622 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -13.900 flat angles P-C4'-P energy: -9.406 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: 2, replica: 7 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -181.579289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.579289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.579289 (E_RNA) where: Base-Base interactions energy: -114.136 where: short stacking energy: -53.656 Base-Backbone interact. energy: -0.428 local terms energy: -67.015000 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -14.120 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -16.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -148.658161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.658161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.658161 (E_RNA) where: Base-Base interactions energy: -85.431 where: short stacking energy: -50.493 Base-Backbone interact. energy: 2.514 local terms energy: -65.740738 where: bonds (distance) C4'-P energy: -15.902 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -15.391 flat angles P-C4'-P energy: -11.024 tors. eta vs tors. theta energy: -13.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -156.347209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.347209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.347209 (E_RNA) where: Base-Base interactions energy: -97.785 where: short stacking energy: -42.741 Base-Backbone interact. energy: -1.066 local terms energy: -57.495539 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -13.655 flat angles C4'-P-C4' energy: -15.438 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -10.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -145.711462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.711462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.711462 (E_RNA) where: Base-Base interactions energy: -93.480 where: short stacking energy: -43.882 Base-Backbone interact. energy: 0.052 local terms energy: -52.283340 where: bonds (distance) C4'-P energy: -12.173 bonds (distance) P-C4' energy: -15.346 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -10.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -156.709848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.709848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.709848 (E_RNA) where: Base-Base interactions energy: -96.670 where: short stacking energy: -49.252 Base-Backbone interact. energy: -0.078 local terms energy: -59.962267 where: bonds (distance) C4'-P energy: -11.853 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -12.896 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -13.565 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: 7, replica: 2 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -85.376295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.376295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.376295 (E_RNA) where: Base-Base interactions energy: -34.199 where: short stacking energy: -34.199 Base-Backbone interact. energy: -0.035 local terms energy: -51.142383 where: bonds (distance) C4'-P energy: -14.415 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -11.510 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: -7.579 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: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -67.841929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.841929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.841929 (E_RNA) where: Base-Base interactions energy: -24.687 where: short stacking energy: -23.181 Base-Backbone interact. energy: -0.108 local terms energy: -43.046858 where: bonds (distance) C4'-P energy: -11.324 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -9.770 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -76.580552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.580552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.580552 (E_RNA) where: Base-Base interactions energy: -29.886 where: short stacking energy: -29.886 Base-Backbone interact. energy: -0.085 local terms energy: -46.610117 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -3.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -77.083864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.083864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.083864 (E_RNA) where: Base-Base interactions energy: -31.974 where: short stacking energy: -21.960 Base-Backbone interact. energy: -0.874 local terms energy: -44.235672 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -11.619 flat angles P-C4'-P energy: -7.729 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: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -187.351193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.351193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.351193 (E_RNA) where: Base-Base interactions energy: -114.677 where: short stacking energy: -65.136 Base-Backbone interact. energy: -0.513 local terms energy: -72.161537 where: bonds (distance) C4'-P energy: -12.296 bonds (distance) P-C4' energy: -11.873 flat angles C4'-P-C4' energy: -15.627 flat angles P-C4'-P energy: -11.927 tors. eta vs tors. theta energy: -20.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -185.302184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.302184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.302184 (E_RNA) where: Base-Base interactions energy: -116.595 where: short stacking energy: -59.232 Base-Backbone interact. energy: -0.164 local terms energy: -68.543645 where: bonds (distance) C4'-P energy: -15.004 bonds (distance) P-C4' energy: -15.091 flat angles C4'-P-C4' energy: -15.099 flat angles P-C4'-P energy: -4.565 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: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -171.329978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.329978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.329978 (E_RNA) where: Base-Base interactions energy: -106.942 where: short stacking energy: -50.508 Base-Backbone interact. energy: -0.445 local terms energy: -63.943015 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -14.436 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -7.399 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: 4, replica: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -147.796092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.796092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.796092 (E_RNA) where: Base-Base interactions energy: -81.759 where: short stacking energy: -47.308 Base-Backbone interact. energy: -0.641 local terms energy: -65.396181 where: bonds (distance) C4'-P energy: -10.106 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -12.754 tors. eta vs tors. theta energy: -12.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -148.220261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.220261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.220261 (E_RNA) where: Base-Base interactions energy: -89.943 where: short stacking energy: -44.639 Base-Backbone interact. energy: -1.187 local terms energy: -57.089991 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -10.864 flat angles P-C4'-P energy: -7.003 tors. eta vs tors. theta energy: -11.312 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: 70 Temperature: 1.150000 Total energy: -128.599080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.599080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.599080 (E_RNA) where: Base-Base interactions energy: -72.779 where: short stacking energy: -33.669 Base-Backbone interact. energy: -0.015 local terms energy: -55.805495 where: bonds (distance) C4'-P energy: -11.199 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -13.895 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -7.665 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: 2 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -88.157284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.157284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.157284 (E_RNA) where: Base-Base interactions energy: -34.342 where: short stacking energy: -34.342 Base-Backbone interact. energy: -0.013 local terms energy: -53.802253 where: bonds (distance) C4'-P energy: -9.944 bonds (distance) P-C4' energy: -11.965 flat angles C4'-P-C4' energy: -13.030 flat angles P-C4'-P energy: -9.578 tors. eta vs tors. theta energy: -9.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -69.720880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.720880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.720880 (E_RNA) where: Base-Base interactions energy: -24.801 where: short stacking energy: -24.801 Base-Backbone interact. energy: -0.213 local terms energy: -44.707033 where: bonds (distance) C4'-P energy: -8.471 bonds (distance) P-C4' energy: -9.984 flat angles C4'-P-C4' energy: -14.920 flat angles P-C4'-P energy: -10.967 tors. eta vs tors. theta energy: -0.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -81.642252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.642252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.642252 (E_RNA) where: Base-Base interactions energy: -38.656 where: short stacking energy: -20.200 Base-Backbone interact. energy: -0.354 local terms energy: -42.632148 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -9.735 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -9.938 tors. eta vs tors. theta energy: 1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -60.151618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.151618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.151618 (E_RNA) where: Base-Base interactions energy: -18.610 where: short stacking energy: -18.610 Base-Backbone interact. energy: -0.122 local terms energy: -41.419317 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -10.829 flat angles C4'-P-C4' energy: -9.122 flat angles P-C4'-P energy: -9.890 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) ================================== temp. level: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -183.511533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.511533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.511533 (E_RNA) where: Base-Base interactions energy: -109.010 where: short stacking energy: -53.354 Base-Backbone interact. energy: -0.645 local terms energy: -73.857355 where: bonds (distance) C4'-P energy: -15.661 bonds (distance) P-C4' energy: -14.991 flat angles C4'-P-C4' energy: -14.655 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -19.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -175.587335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.587335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.587335 (E_RNA) where: Base-Base interactions energy: -113.408 where: short stacking energy: -47.966 Base-Backbone interact. energy: -0.599 local terms energy: -61.580260 where: bonds (distance) C4'-P energy: -15.219 bonds (distance) P-C4' energy: -13.549 flat angles C4'-P-C4' energy: -13.879 flat angles P-C4'-P energy: -6.700 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: 3, replica: 6 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -160.466154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.466154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.466154 (E_RNA) where: Base-Base interactions energy: -97.520 where: short stacking energy: -55.036 Base-Backbone interact. energy: -0.114 local terms energy: -62.832201 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -11.601 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -9.527 tors. eta vs tors. theta energy: -15.027 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: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -163.879604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.879604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.879604 (E_RNA) where: Base-Base interactions energy: -100.441 where: short stacking energy: -48.168 Base-Backbone interact. energy: -0.082 local terms energy: -63.356719 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -14.667 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -9.764 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: 10 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -136.612371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.612371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.612371 (E_RNA) where: Base-Base interactions energy: -75.357 where: short stacking energy: -41.932 Base-Backbone interact. energy: -0.101 local terms energy: -61.155094 where: bonds (distance) C4'-P energy: -14.689 bonds (distance) P-C4' energy: -10.522 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -11.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -117.870734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.870734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.870734 (E_RNA) where: Base-Base interactions energy: -66.098 where: short stacking energy: -32.194 Base-Backbone interact. energy: -0.486 local terms energy: -51.286501 where: bonds (distance) C4'-P energy: -9.982 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -11.379 flat angles P-C4'-P energy: -9.107 tors. eta vs tors. theta energy: -8.339 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: 2 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -83.262689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.262689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.262689 (E_RNA) where: Base-Base interactions energy: -32.038 where: short stacking energy: -32.038 Base-Backbone interact. energy: -0.010 local terms energy: -51.213952 where: bonds (distance) C4'-P energy: -14.739 bonds (distance) P-C4' energy: -11.595 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -5.620 tors. eta vs tors. theta energy: -6.520 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: 8 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -86.154058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.154058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.154058 (E_RNA) where: Base-Base interactions energy: -43.759 where: short stacking energy: -30.312 Base-Backbone interact. energy: 0.506 local terms energy: -42.901198 where: bonds (distance) C4'-P energy: -8.074 bonds (distance) P-C4' energy: -8.610 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -10.023 tors. eta vs tors. theta energy: -2.993 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: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -85.697227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.697227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.697227 (E_RNA) where: Base-Base interactions energy: -43.501 where: short stacking energy: -22.449 Base-Backbone interact. energy: -1.071 local terms energy: -41.124553 where: bonds (distance) C4'-P energy: -12.676 bonds (distance) P-C4' energy: -11.372 flat angles C4'-P-C4' energy: -8.914 flat angles P-C4'-P energy: -7.621 tors. eta vs tors. theta energy: -0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -75.619601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.619601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.619601 (E_RNA) where: Base-Base interactions energy: -20.474 where: short stacking energy: -20.474 Base-Backbone interact. energy: -0.019 local terms energy: -55.126788 where: bonds (distance) C4'-P energy: -11.617 bonds (distance) P-C4' energy: -14.817 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -9.767 tors. eta vs tors. theta energy: -5.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -178.756953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.756953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.756953 (E_RNA) where: Base-Base interactions energy: -126.029 where: short stacking energy: -43.951 Base-Backbone interact. energy: -0.191 local terms energy: -52.537011 where: bonds (distance) C4'-P energy: -11.720 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -11.794 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: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -174.909619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.909619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.909619 (E_RNA) where: Base-Base interactions energy: -103.076 where: short stacking energy: -56.001 Base-Backbone interact. energy: -0.169 local terms energy: -71.663905 where: bonds (distance) C4'-P energy: -11.415 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -15.539 flat angles P-C4'-P energy: -11.415 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: 3, replica: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -164.759928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.759928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.759928 (E_RNA) where: Base-Base interactions energy: -108.015 where: short stacking energy: -44.864 Base-Backbone interact. energy: -0.023 local terms energy: -56.722589 where: bonds (distance) C4'-P energy: -10.840 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -11.993 flat angles P-C4'-P energy: -8.548 tors. eta vs tors. theta energy: -9.841 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: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -160.327326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.327326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.327326 (E_RNA) where: Base-Base interactions energy: -105.317 where: short stacking energy: -50.407 Base-Backbone interact. energy: -0.610 local terms energy: -54.400967 where: bonds (distance) C4'-P energy: -10.970 bonds (distance) P-C4' energy: -10.817 flat angles C4'-P-C4' energy: -15.128 flat angles P-C4'-P energy: -8.182 tors. eta vs tors. theta energy: -9.303 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: 5, replica: 10 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -136.409383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.409383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.409383 (E_RNA) where: Base-Base interactions energy: -87.617 where: short stacking energy: -47.588 Base-Backbone interact. energy: -0.160 local terms energy: -48.632554 where: bonds (distance) C4'-P energy: -8.785 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -5.353 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: 6, replica: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -86.904201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.904201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.904201 (E_RNA) where: Base-Base interactions energy: -40.217 where: short stacking energy: -28.101 Base-Backbone interact. energy: -0.178 local terms energy: -46.509235 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -10.788 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -6.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -75.117804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.117804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.117804 (E_RNA) where: Base-Base interactions energy: -32.810 where: short stacking energy: -15.687 Base-Backbone interact. energy: -0.168 local terms energy: -42.139766 where: bonds (distance) C4'-P energy: -8.241 bonds (distance) P-C4' energy: -12.202 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -9.388 tors. eta vs tors. theta energy: -0.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -83.803377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.803377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.803377 (E_RNA) where: Base-Base interactions energy: -29.308 where: short stacking energy: -29.063 Base-Backbone interact. energy: -0.129 local terms energy: -54.366889 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -15.793 flat angles C4'-P-C4' energy: -12.785 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -7.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -67.943148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.943148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.943148 (E_RNA) where: Base-Base interactions energy: -21.827 where: short stacking energy: -16.717 Base-Backbone interact. energy: -0.098 local terms energy: -46.018353 where: bonds (distance) C4'-P energy: -13.779 bonds (distance) P-C4' energy: -13.523 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -7.197 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: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -69.034190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.034190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.034190 (E_RNA) where: Base-Base interactions energy: -22.291 where: short stacking energy: -18.750 Base-Backbone interact. energy: -0.117 local terms energy: -46.625892 where: bonds (distance) C4'-P energy: -13.745 bonds (distance) P-C4' energy: -11.677 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -7.378 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: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -185.504732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.504732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.504732 (E_RNA) where: Base-Base interactions energy: -125.078 where: short stacking energy: -61.287 Base-Backbone interact. energy: -0.395 local terms energy: -60.031656 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -15.825 flat angles P-C4'-P energy: -8.447 tors. eta vs tors. theta energy: -15.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -171.053024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.053024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.053024 (E_RNA) where: Base-Base interactions energy: -110.434 where: short stacking energy: -53.150 Base-Backbone interact. energy: -1.023 local terms energy: -59.596221 where: bonds (distance) C4'-P energy: -15.112 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -7.650 tors. eta vs tors. theta energy: -13.565 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: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -170.438750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.438750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.438750 (E_RNA) where: Base-Base interactions energy: -111.745 where: short stacking energy: -54.746 Base-Backbone interact. energy: -1.001 local terms energy: -57.693014 where: bonds (distance) C4'-P energy: -7.050 bonds (distance) P-C4' energy: -14.464 flat angles C4'-P-C4' energy: -14.822 flat angles P-C4'-P energy: -7.034 tors. eta vs tors. theta energy: -14.322 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: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -167.644976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.644976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.644976 (E_RNA) where: Base-Base interactions energy: -104.140 where: short stacking energy: -57.090 Base-Backbone interact. energy: -0.293 local terms energy: -63.211346 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -13.630 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -16.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -131.037567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.037567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.037567 (E_RNA) where: Base-Base interactions energy: -76.134 where: short stacking energy: -38.166 Base-Backbone interact. energy: -0.097 local terms energy: -54.806856 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -10.487 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -11.052 tors. eta vs tors. theta energy: -7.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -103.735748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.735748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.735748 (E_RNA) where: Base-Base interactions energy: -44.089 where: short stacking energy: -43.539 Base-Backbone interact. energy: -0.049 local terms energy: -59.597818 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -11.330 flat angles C4'-P-C4' energy: -16.353 flat angles P-C4'-P energy: -8.141 tors. eta vs tors. theta energy: -9.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -99.772810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.772810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.772810 (E_RNA) where: Base-Base interactions energy: -52.755 where: short stacking energy: -22.616 Base-Backbone interact. energy: 0.562 local terms energy: -47.579214 where: bonds (distance) C4'-P energy: -14.313 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -9.046 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -0.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -85.776263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.776263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.776263 (E_RNA) where: Base-Base interactions energy: -30.415 where: short stacking energy: -25.959 Base-Backbone interact. energy: -0.147 local terms energy: -55.214218 where: bonds (distance) C4'-P energy: -9.055 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -11.249 flat angles P-C4'-P energy: -11.993 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: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -82.004411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.004411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.004411 (E_RNA) where: Base-Base interactions energy: -38.150 where: short stacking energy: -28.979 Base-Backbone interact. energy: -0.549 local terms energy: -43.306392 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -1.506 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: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -72.339313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.339313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.339313 (E_RNA) where: Base-Base interactions energy: -33.882 where: short stacking energy: -17.456 Base-Backbone interact. energy: -0.046 local terms energy: -38.410893 where: bonds (distance) C4'-P energy: -13.504 bonds (distance) P-C4' energy: -10.531 flat angles C4'-P-C4' energy: -9.799 flat angles P-C4'-P energy: -7.007 tors. eta vs tors. theta energy: 2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -188.037396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.037396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.037396 (E_RNA) where: Base-Base interactions energy: -118.094 where: short stacking energy: -48.918 Base-Backbone interact. energy: -0.814 local terms energy: -69.128652 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -16.121 flat angles C4'-P-C4' energy: -13.996 flat angles P-C4'-P energy: -11.524 tors. eta vs tors. theta energy: -13.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -177.342874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.342874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.342874 (E_RNA) where: Base-Base interactions energy: -120.591 where: short stacking energy: -48.095 Base-Backbone interact. energy: -0.117 local terms energy: -56.634926 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -14.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -171.461787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.461787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.461787 (E_RNA) where: Base-Base interactions energy: -114.804 where: short stacking energy: -43.985 Base-Backbone interact. energy: -0.925 local terms energy: -55.732361 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -9.920 flat angles C4'-P-C4' energy: -16.609 flat angles P-C4'-P energy: -10.174 tors. eta vs tors. theta energy: -6.630 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: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -167.881987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.881987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.881987 (E_RNA) where: Base-Base interactions energy: -106.714 where: short stacking energy: -49.437 Base-Backbone interact. energy: -0.097 local terms energy: -61.071048 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -11.589 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -7.904 tors. eta vs tors. theta energy: -13.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -136.843792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.843792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.843792 (E_RNA) where: Base-Base interactions energy: -82.756 where: short stacking energy: -48.590 Base-Backbone interact. energy: -0.240 local terms energy: -53.848015 where: bonds (distance) C4'-P energy: -9.581 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -12.104 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -8.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -90.823567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.823567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.823567 (E_RNA) where: Base-Base interactions energy: -41.809 where: short stacking energy: -24.624 Base-Backbone interact. energy: -0.362 local terms energy: -48.652694 where: bonds (distance) C4'-P energy: -11.237 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -8.679 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -87.382131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.382131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.382131 (E_RNA) where: Base-Base interactions energy: -37.899 where: short stacking energy: -34.430 Base-Backbone interact. energy: -0.163 local terms energy: -49.320298 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -11.887 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -8.889 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: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -86.248844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.248844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.248844 (E_RNA) where: Base-Base interactions energy: -41.233 where: short stacking energy: -28.192 Base-Backbone interact. energy: -0.009 local terms energy: -45.006516 where: bonds (distance) C4'-P energy: -10.432 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -7.121 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -69.670659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.670659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.670659 (E_RNA) where: Base-Base interactions energy: -30.067 where: short stacking energy: -19.631 Base-Backbone interact. energy: 2.042 local terms energy: -41.646581 where: bonds (distance) C4'-P energy: -14.534 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -1.087 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: 2 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -68.425518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.425518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.425518 (E_RNA) where: Base-Base interactions energy: -19.761 where: short stacking energy: -19.761 Base-Backbone interact. energy: -0.161 local terms energy: -48.503444 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -11.963 flat angles P-C4'-P energy: -6.810 tors. eta vs tors. theta energy: -2.725 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: 1, replica: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -179.170080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.170080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.170080 (E_RNA) where: Base-Base interactions energy: -123.530 where: short stacking energy: -47.869 Base-Backbone interact. energy: -1.758 local terms energy: -53.881720 where: bonds (distance) C4'-P energy: -10.556 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -13.249 flat angles P-C4'-P energy: -9.429 tors. eta vs tors. theta energy: -9.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -176.795790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.795790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.795790 (E_RNA) where: Base-Base interactions energy: -117.262 where: short stacking energy: -55.417 Base-Backbone interact. energy: -0.962 local terms energy: -58.571499 where: bonds (distance) C4'-P energy: -12.839 bonds (distance) P-C4' energy: -10.301 flat angles C4'-P-C4' energy: -11.877 flat angles P-C4'-P energy: -11.669 tors. eta vs tors. theta energy: -11.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -164.141936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.141936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.141936 (E_RNA) where: Base-Base interactions energy: -98.665 where: short stacking energy: -53.453 Base-Backbone interact. energy: -0.365 local terms energy: -65.112115 where: bonds (distance) C4'-P energy: -12.644 bonds (distance) P-C4' energy: -11.787 flat angles C4'-P-C4' energy: -14.181 flat angles P-C4'-P energy: -10.278 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: 10 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -142.984707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.984707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.984707 (E_RNA) where: Base-Base interactions energy: -86.327 where: short stacking energy: -43.602 Base-Backbone interact. energy: -0.024 local terms energy: -56.633123 where: bonds (distance) C4'-P energy: -8.835 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -9.185 tors. eta vs tors. theta energy: -10.303 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: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -165.996998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.996998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.996998 (E_RNA) where: Base-Base interactions energy: -104.546 where: short stacking energy: -42.007 Base-Backbone interact. energy: -0.354 local terms energy: -61.097121 where: bonds (distance) C4'-P energy: -12.603 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -12.616 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -12.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -102.844984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.844984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.844984 (E_RNA) where: Base-Base interactions energy: -52.682 where: short stacking energy: -33.574 Base-Backbone interact. energy: -0.109 local terms energy: -50.054154 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -14.945 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -10.349 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: 7, replica: 8 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -76.624325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.624325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.624325 (E_RNA) where: Base-Base interactions energy: -31.684 where: short stacking energy: -14.044 Base-Backbone interact. energy: -0.104 local terms energy: -44.835798 where: bonds (distance) C4'-P energy: -16.994 bonds (distance) P-C4' energy: -11.474 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -6.496 tors. eta vs tors. theta energy: -2.120 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: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -85.495943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.495943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.495943 (E_RNA) where: Base-Base interactions energy: -30.929 where: short stacking energy: -26.842 Base-Backbone interact. energy: -0.080 local terms energy: -54.486932 where: bonds (distance) C4'-P energy: -16.067 bonds (distance) P-C4' energy: -12.315 flat angles C4'-P-C4' energy: -11.926 flat angles P-C4'-P energy: -8.363 tors. eta vs tors. theta energy: -5.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -79.534034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.534034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.534034 (E_RNA) where: Base-Base interactions energy: -28.628 where: short stacking energy: -22.275 Base-Backbone interact. energy: -0.115 local terms energy: -50.791047 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -11.405 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -3.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -68.129113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.129113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.129113 (E_RNA) where: Base-Base interactions energy: -20.324 where: short stacking energy: -20.324 Base-Backbone interact. energy: -0.109 local terms energy: -47.695880 where: bonds (distance) C4'-P energy: -10.680 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -11.273 flat angles P-C4'-P energy: -10.487 tors. eta vs tors. theta energy: 0.231 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: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -173.120228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.120228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.120228 (E_RNA) where: Base-Base interactions energy: -110.505 where: short stacking energy: -47.506 Base-Backbone interact. energy: -0.094 local terms energy: -62.520681 where: bonds (distance) C4'-P energy: -13.885 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -12.892 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -13.683 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: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -176.122260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.122260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.122260 (E_RNA) where: Base-Base interactions energy: -109.966 where: short stacking energy: -55.930 Base-Backbone interact. energy: -0.012 local terms energy: -66.144450 where: bonds (distance) C4'-P energy: -13.889 bonds (distance) P-C4' energy: -13.726 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -8.862 tors. eta vs tors. theta energy: -15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -173.789561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.789561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.789561 (E_RNA) where: Base-Base interactions energy: -106.918 where: short stacking energy: -50.663 Base-Backbone interact. energy: -1.971 local terms energy: -64.900141 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -7.731 tors. eta vs tors. theta energy: -14.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -138.897918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.897918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.897918 (E_RNA) where: Base-Base interactions energy: -86.643 where: short stacking energy: -41.811 Base-Backbone interact. energy: -0.566 local terms energy: -51.688394 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -10.952 flat angles P-C4'-P energy: -9.489 tors. eta vs tors. theta energy: -5.757 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: 5, replica: 3 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -163.012502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.012502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.012502 (E_RNA) where: Base-Base interactions energy: -101.008 where: short stacking energy: -47.935 Base-Backbone interact. energy: -0.087 local terms energy: -61.917924 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -15.468 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -11.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -88.059936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.059936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.059936 (E_RNA) where: Base-Base interactions energy: -32.965 where: short stacking energy: -22.453 Base-Backbone interact. energy: -0.103 local terms energy: -54.991451 where: bonds (distance) C4'-P energy: -11.112 bonds (distance) P-C4' energy: -14.858 flat angles C4'-P-C4' energy: -12.544 flat angles P-C4'-P energy: -9.526 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: 7, replica: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -92.881755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.881755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.881755 (E_RNA) where: Base-Base interactions energy: -45.973 where: short stacking energy: -34.104 Base-Backbone interact. energy: -0.024 local terms energy: -46.884364 where: bonds (distance) C4'-P energy: -10.290 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -11.249 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -6.151 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: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -78.316403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.316403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.316403 (E_RNA) where: Base-Base interactions energy: -22.646 where: short stacking energy: -20.731 Base-Backbone interact. energy: -0.139 local terms energy: -55.531361 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -9.205 tors. eta vs tors. theta energy: -4.076 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: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -85.596383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.596383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.596383 (E_RNA) where: Base-Base interactions energy: -35.318 where: short stacking energy: -35.318 Base-Backbone interact. energy: -0.134 local terms energy: -50.143956 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -9.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -66.637748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.637748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.637748 (E_RNA) where: Base-Base interactions energy: -33.848 where: short stacking energy: -27.656 Base-Backbone interact. energy: -0.266 local terms energy: -32.523323 where: bonds (distance) C4'-P energy: -8.760 bonds (distance) P-C4' energy: -11.807 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -1.978 tors. eta vs tors. theta energy: -0.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -189.684508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.684508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.684508 (E_RNA) where: Base-Base interactions energy: -130.279 where: short stacking energy: -43.698 Base-Backbone interact. energy: -0.273 local terms energy: -59.132363 where: bonds (distance) C4'-P energy: -11.737 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -12.234 flat angles P-C4'-P energy: -11.555 tors. eta vs tors. theta energy: -9.570 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: 2, replica: 6 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -184.078626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.078626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.078626 (E_RNA) where: Base-Base interactions energy: -113.656 where: short stacking energy: -64.109 Base-Backbone interact. energy: -0.046 local terms energy: -70.377544 where: bonds (distance) C4'-P energy: -13.530 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -14.162 flat angles P-C4'-P energy: -8.617 tors. eta vs tors. theta energy: -21.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -169.655724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.655724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.655724 (E_RNA) where: Base-Base interactions energy: -104.963 where: short stacking energy: -47.225 Base-Backbone interact. energy: -0.312 local terms energy: -64.381301 where: bonds (distance) C4'-P energy: -15.973 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -12.636 flat angles P-C4'-P energy: -8.678 tors. eta vs tors. theta energy: -12.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -171.161263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.161263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.161263 (E_RNA) where: Base-Base interactions energy: -110.334 where: short stacking energy: -45.666 Base-Backbone interact. energy: -0.274 local terms energy: -60.552806 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -16.269 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -7.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -132.612194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.612194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.612194 (E_RNA) where: Base-Base interactions energy: -73.788 where: short stacking energy: -28.699 Base-Backbone interact. energy: -0.884 local terms energy: -57.939260 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -15.251 flat angles P-C4'-P energy: -8.767 tors. eta vs tors. theta energy: -6.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -102.773195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.773195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.773195 (E_RNA) where: Base-Base interactions energy: -43.011 where: short stacking energy: -41.409 Base-Backbone interact. energy: -0.017 local terms energy: -59.746000 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -13.883 flat angles C4'-P-C4' energy: -15.121 flat angles P-C4'-P energy: -7.966 tors. eta vs tors. theta energy: -9.424 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: 7, replica: 5 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -100.755028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.755028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.755028 (E_RNA) where: Base-Base interactions energy: -47.695 where: short stacking energy: -27.498 Base-Backbone interact. energy: -0.536 local terms energy: -52.523437 where: bonds (distance) C4'-P energy: -13.327 bonds (distance) P-C4' energy: -15.306 flat angles C4'-P-C4' energy: -12.453 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -69.293526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.293526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.293526 (E_RNA) where: Base-Base interactions energy: -26.150 where: short stacking energy: -23.984 Base-Backbone interact. energy: -0.070 local terms energy: -43.073076 where: bonds (distance) C4'-P energy: -11.265 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -8.249 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: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -73.481259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.481259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.481259 (E_RNA) where: Base-Base interactions energy: -25.124 where: short stacking energy: -22.245 Base-Backbone interact. energy: -0.061 local terms energy: -48.295347 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -14.407 flat angles P-C4'-P energy: -8.343 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: 4 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -75.298319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.298319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.298319 (E_RNA) where: Base-Base interactions energy: -28.022 where: short stacking energy: -26.531 Base-Backbone interact. energy: -0.440 local terms energy: -46.835932 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -9.597 tors. eta vs tors. theta energy: -2.225 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: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -182.605938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.605938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.605938 (E_RNA) where: Base-Base interactions energy: -112.771 where: short stacking energy: -61.193 Base-Backbone interact. energy: -0.648 local terms energy: -69.186544 where: bonds (distance) C4'-P energy: -11.668 bonds (distance) P-C4' energy: -11.999 flat angles C4'-P-C4' energy: -14.921 flat angles P-C4'-P energy: -10.680 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: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -174.896717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.896717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.896717 (E_RNA) where: Base-Base interactions energy: -112.501 where: short stacking energy: -51.957 Base-Backbone interact. energy: -0.552 local terms energy: -61.843682 where: bonds (distance) C4'-P energy: -10.819 bonds (distance) P-C4' energy: -11.304 flat angles C4'-P-C4' energy: -15.719 flat angles P-C4'-P energy: -11.733 tors. eta vs tors. theta energy: -12.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -181.499213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.499213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.499213 (E_RNA) where: Base-Base interactions energy: -120.821 where: short stacking energy: -48.232 Base-Backbone interact. energy: -0.757 local terms energy: -59.921491 where: bonds (distance) C4'-P energy: -10.889 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -16.133 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -10.169 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: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -171.295612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.295612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.295612 (E_RNA) where: Base-Base interactions energy: -116.730 where: short stacking energy: -49.087 Base-Backbone interact. energy: -0.238 local terms energy: -54.327087 where: bonds (distance) C4'-P energy: -11.253 bonds (distance) P-C4' energy: -13.008 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -9.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -149.344029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.344029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.344029 (E_RNA) where: Base-Base interactions energy: -91.987 where: short stacking energy: -46.961 Base-Backbone interact. energy: -1.442 local terms energy: -55.915039 where: bonds (distance) C4'-P energy: -15.464 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -11.844 flat angles P-C4'-P energy: -2.232 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: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -91.344358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.344358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.344358 (E_RNA) where: Base-Base interactions energy: -44.885 where: short stacking energy: -23.626 Base-Backbone interact. energy: -0.512 local terms energy: -45.947453 where: bonds (distance) C4'-P energy: -11.642 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -11.051 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -5.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -79.319869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.319869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.319869 (E_RNA) where: Base-Base interactions energy: -40.019 where: short stacking energy: -24.182 Base-Backbone interact. energy: -0.134 local terms energy: -39.166889 where: bonds (distance) C4'-P energy: -4.598 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -14.167 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -82.519739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.519739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.519739 (E_RNA) where: Base-Base interactions energy: -32.709 where: short stacking energy: -32.709 Base-Backbone interact. energy: -0.122 local terms energy: -49.688728 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -12.086 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -7.400 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: 9, replica: 4 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -67.181575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.181575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.181575 (E_RNA) where: Base-Base interactions energy: -18.605 where: short stacking energy: -18.850 Base-Backbone interact. energy: 0.533 local terms energy: -49.109416 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -11.860 flat angles C4'-P-C4' energy: -10.247 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -6.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -78.099053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.099053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.099053 (E_RNA) where: Base-Base interactions energy: -28.269 where: short stacking energy: -28.269 Base-Backbone interact. energy: -0.077 local terms energy: -49.752958 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -16.232 flat angles C4'-P-C4' energy: -9.987 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -7.030 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: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -176.033301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.033301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.033301 (E_RNA) where: Base-Base interactions energy: -105.509 where: short stacking energy: -47.681 Base-Backbone interact. energy: -0.559 local terms energy: -69.964877 where: bonds (distance) C4'-P energy: -15.048 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -15.637 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: -15.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -176.824932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.824932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.824932 (E_RNA) where: Base-Base interactions energy: -115.243 where: short stacking energy: -50.795 Base-Backbone interact. energy: -1.036 local terms energy: -60.546665 where: bonds (distance) C4'-P energy: -15.422 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -14.366 flat angles P-C4'-P energy: -9.995 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: 3, replica: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -173.868203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.868203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.868203 (E_RNA) where: Base-Base interactions energy: -115.188 where: short stacking energy: -54.233 Base-Backbone interact. energy: -0.387 local terms energy: -58.293201 where: bonds (distance) C4'-P energy: -11.951 bonds (distance) P-C4' energy: -15.377 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -13.391 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: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -168.709890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.709890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.709890 (E_RNA) where: Base-Base interactions energy: -114.003 where: short stacking energy: -46.976 Base-Backbone interact. energy: -0.998 local terms energy: -53.708688 where: bonds (distance) C4'-P energy: -10.512 bonds (distance) P-C4' energy: -11.904 flat angles C4'-P-C4' energy: -11.142 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -10.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -138.405591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.405591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.405591 (E_RNA) where: Base-Base interactions energy: -79.147 where: short stacking energy: -44.903 Base-Backbone interact. energy: -1.248 local terms energy: -58.010983 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -9.102 tors. eta vs tors. theta energy: -14.057 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: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -91.171513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.171513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.171513 (E_RNA) where: Base-Base interactions energy: -33.463 where: short stacking energy: -33.463 Base-Backbone interact. energy: -0.098 local terms energy: -57.610760 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -16.365 flat angles C4'-P-C4' energy: -11.165 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -8.180 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: 7, replica: 8 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -88.110615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.110615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.110615 (E_RNA) where: Base-Base interactions energy: -43.747 where: short stacking energy: -41.416 Base-Backbone interact. energy: -0.179 local terms energy: -44.185364 where: bonds (distance) C4'-P energy: -11.223 bonds (distance) P-C4' energy: -11.679 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -10.659 tors. eta vs tors. theta energy: -4.298 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: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -73.709442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.709442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.709442 (E_RNA) where: Base-Base interactions energy: -29.756 where: short stacking energy: -23.831 Base-Backbone interact. energy: -0.186 local terms energy: -43.767681 where: bonds (distance) C4'-P energy: -14.175 bonds (distance) P-C4' energy: -14.773 flat angles C4'-P-C4' energy: -10.692 flat angles P-C4'-P energy: -2.261 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -71.406529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.406529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.406529 (E_RNA) where: Base-Base interactions energy: -29.321 where: short stacking energy: -26.657 Base-Backbone interact. energy: -1.088 local terms energy: -40.997283 where: bonds (distance) C4'-P energy: -9.224 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -3.034 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: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -76.415541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.415541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.415541 (E_RNA) where: Base-Base interactions energy: -22.151 where: short stacking energy: -18.883 Base-Backbone interact. energy: -0.369 local terms energy: -53.895848 where: bonds (distance) C4'-P energy: -16.452 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -7.066 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -8.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -178.917060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.917060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.917060 (E_RNA) where: Base-Base interactions energy: -113.791 where: short stacking energy: -62.219 Base-Backbone interact. energy: -0.401 local terms energy: -64.724657 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -10.549 flat angles C4'-P-C4' energy: -14.383 flat angles P-C4'-P energy: -9.694 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: 2, replica: 1 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -185.861489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.861489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.861489 (E_RNA) where: Base-Base interactions energy: -117.335 where: short stacking energy: -49.045 Base-Backbone interact. energy: -0.196 local terms energy: -68.330040 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -14.929 flat angles C4'-P-C4' energy: -16.382 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -15.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -165.733909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.733909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.733909 (E_RNA) where: Base-Base interactions energy: -105.588 where: short stacking energy: -48.255 Base-Backbone interact. energy: -0.189 local terms energy: -59.956676 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -12.026 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -10.320 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: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -150.856688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.856688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.856688 (E_RNA) where: Base-Base interactions energy: -91.570 where: short stacking energy: -49.567 Base-Backbone interact. energy: 1.137 local terms energy: -60.423487 where: bonds (distance) C4'-P energy: -11.318 bonds (distance) P-C4' energy: -13.392 flat angles C4'-P-C4' energy: -15.721 flat angles P-C4'-P energy: -8.984 tors. eta vs tors. theta energy: -11.008 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: 10 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -126.505973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.505973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.505973 (E_RNA) where: Base-Base interactions energy: -73.513 where: short stacking energy: -37.533 Base-Backbone interact. energy: -0.108 local terms energy: -52.884783 where: bonds (distance) C4'-P energy: -9.637 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -11.611 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -12.448 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: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -83.719019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.719019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.719019 (E_RNA) where: Base-Base interactions energy: -36.876 where: short stacking energy: -36.876 Base-Backbone interact. energy: -0.109 local terms energy: -46.734040 where: bonds (distance) C4'-P energy: -12.809 bonds (distance) P-C4' energy: -10.223 flat angles C4'-P-C4' energy: -14.277 flat angles P-C4'-P energy: -4.736 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: 7, replica: 8 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -100.232117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.232117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.232117 (E_RNA) where: Base-Base interactions energy: -54.515 where: short stacking energy: -28.008 Base-Backbone interact. energy: -0.121 local terms energy: -45.596301 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -9.679 flat angles C4'-P-C4' energy: -12.317 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -6.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -98.862229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.862229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.862229 (E_RNA) where: Base-Base interactions energy: -51.115 where: short stacking energy: -29.373 Base-Backbone interact. energy: -0.149 local terms energy: -47.598018 where: bonds (distance) C4'-P energy: -10.823 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -8.566 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: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -78.178971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.178971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.178971 (E_RNA) where: Base-Base interactions energy: -32.459 where: short stacking energy: -32.459 Base-Backbone interact. energy: -0.059 local terms energy: -45.660652 where: bonds (distance) C4'-P energy: -8.256 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -8.156 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: 5 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -71.454451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.454451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.454451 (E_RNA) where: Base-Base interactions energy: -24.431 where: short stacking energy: -23.238 Base-Backbone interact. energy: -0.072 local terms energy: -46.950645 where: bonds (distance) C4'-P energy: -12.159 bonds (distance) P-C4' energy: -7.941 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -5.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -181.491837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.491837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.491837 (E_RNA) where: Base-Base interactions energy: -115.264 where: short stacking energy: -51.806 Base-Backbone interact. energy: -0.356 local terms energy: -65.872459 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -15.027 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -16.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -192.368718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.368718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.368718 (E_RNA) where: Base-Base interactions energy: -119.503 where: short stacking energy: -54.911 Base-Backbone interact. energy: -0.003 local terms energy: -72.862814 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -15.870 flat angles P-C4'-P energy: -11.149 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: 3, replica: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -162.918751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.918751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.918751 (E_RNA) where: Base-Base interactions energy: -104.870 where: short stacking energy: -42.657 Base-Backbone interact. energy: -0.076 local terms energy: -57.972417 where: bonds (distance) C4'-P energy: -16.515 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -8.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -137.630778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.630778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.630778 (E_RNA) where: Base-Base interactions energy: -85.478 where: short stacking energy: -42.242 Base-Backbone interact. energy: -0.483 local terms energy: -51.669965 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -11.148 flat angles P-C4'-P energy: -7.623 tors. eta vs tors. theta energy: -5.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -167.425665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.425665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.425665 (E_RNA) where: Base-Base interactions energy: -108.286 where: short stacking energy: -54.140 Base-Backbone interact. energy: -0.001 local terms energy: -59.138519 where: bonds (distance) C4'-P energy: -12.285 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -12.967 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -13.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -92.813964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.813964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.813964 (E_RNA) where: Base-Base interactions energy: -45.057 where: short stacking energy: -34.482 Base-Backbone interact. energy: -0.162 local terms energy: -47.594901 where: bonds (distance) C4'-P energy: -10.661 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -11.298 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -4.266 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: 7, replica: 2 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -104.998142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.998142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.998142 (E_RNA) where: Base-Base interactions energy: -56.741 where: short stacking energy: -27.939 Base-Backbone interact. energy: 0.104 local terms energy: -48.360942 where: bonds (distance) C4'-P energy: -11.402 bonds (distance) P-C4' energy: -11.666 flat angles C4'-P-C4' energy: -15.827 flat angles P-C4'-P energy: -6.697 tors. eta vs tors. theta energy: -2.769 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: 81 Temperature: 1.250000 Total energy: -87.697910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.697910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.697910 (E_RNA) where: Base-Base interactions energy: -38.343 where: short stacking energy: -38.343 Base-Backbone interact. energy: -0.018 local terms energy: -49.337545 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -4.384 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: 9, replica: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -83.381974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.381974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.381974 (E_RNA) where: Base-Base interactions energy: -39.474 where: short stacking energy: -29.204 Base-Backbone interact. energy: 0.438 local terms energy: -44.346609 where: bonds (distance) C4'-P energy: -9.481 bonds (distance) P-C4' energy: -12.213 flat angles C4'-P-C4' energy: -14.275 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -77.527405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.527405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.527405 (E_RNA) where: Base-Base interactions energy: -38.261 where: short stacking energy: -26.162 Base-Backbone interact. energy: -0.675 local terms energy: -38.592138 where: bonds (distance) C4'-P energy: -6.757 bonds (distance) P-C4' energy: -14.778 flat angles C4'-P-C4' energy: -10.263 flat angles P-C4'-P energy: -2.467 tors. eta vs tors. theta energy: -4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -192.930610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.930610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.930610 (E_RNA) where: Base-Base interactions energy: -125.498 where: short stacking energy: -54.249 Base-Backbone interact. energy: -0.750 local terms energy: -66.682675 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -13.788 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -12.708 tors. eta vs tors. theta energy: -13.435 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: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -176.308613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.308613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.308613 (E_RNA) where: Base-Base interactions energy: -119.241 where: short stacking energy: -45.818 Base-Backbone interact. energy: -0.787 local terms energy: -56.280526 where: bonds (distance) C4'-P energy: -13.556 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -12.871 flat angles P-C4'-P energy: -5.025 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: 3, replica: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -167.864014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.864014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.864014 (E_RNA) where: Base-Base interactions energy: -101.787 where: short stacking energy: -45.065 Base-Backbone interact. energy: -0.389 local terms energy: -65.688558 where: bonds (distance) C4'-P energy: -11.547 bonds (distance) P-C4' energy: -15.071 flat angles C4'-P-C4' energy: -15.707 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -13.320 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: 10 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -138.442830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.442830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.442830 (E_RNA) where: Base-Base interactions energy: -82.217 where: short stacking energy: -48.731 Base-Backbone interact. energy: -0.123 local terms energy: -56.102687 where: bonds (distance) C4'-P energy: -11.744 bonds (distance) P-C4' energy: -10.916 flat angles C4'-P-C4' energy: -14.008 flat angles P-C4'-P energy: -10.628 tors. eta vs tors. theta energy: -8.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -155.613559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.613559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.613559 (E_RNA) where: Base-Base interactions energy: -96.523 where: short stacking energy: -51.840 Base-Backbone interact. energy: -0.095 local terms energy: -58.995799 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -10.713 flat angles C4'-P-C4' energy: -10.601 flat angles P-C4'-P energy: -8.859 tors. eta vs tors. theta energy: -17.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -100.584176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.584176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.584176 (E_RNA) where: Base-Base interactions energy: -61.714 where: short stacking energy: -33.522 Base-Backbone interact. energy: 0.139 local terms energy: -39.009483 where: bonds (distance) C4'-P energy: -11.580 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -8.385 flat angles P-C4'-P energy: -2.301 tors. eta vs tors. theta energy: -3.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -112.832957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.832957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.832957 (E_RNA) where: Base-Base interactions energy: -61.025 where: short stacking energy: -40.371 Base-Backbone interact. energy: 1.002 local terms energy: -52.810132 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -14.365 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -7.333 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: 8, replica: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -96.978410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.978410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.978410 (E_RNA) where: Base-Base interactions energy: -46.532 where: short stacking energy: -23.173 Base-Backbone interact. energy: -0.884 local terms energy: -49.562419 where: bonds (distance) C4'-P energy: -9.869 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -6.379 tors. eta vs tors. theta energy: -4.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -74.648775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.648775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.648775 (E_RNA) where: Base-Base interactions energy: -31.681 where: short stacking energy: -17.549 Base-Backbone interact. energy: -1.062 local terms energy: -41.905983 where: bonds (distance) C4'-P energy: -10.821 bonds (distance) P-C4' energy: -16.217 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -0.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -72.189461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.189461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.189461 (E_RNA) where: Base-Base interactions energy: -28.140 where: short stacking energy: -28.140 Base-Backbone interact. energy: -0.095 local terms energy: -43.954016 where: bonds (distance) C4'-P energy: -9.598 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -195.760523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.760523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.760523 (E_RNA) where: Base-Base interactions energy: -131.846 where: short stacking energy: -55.144 Base-Backbone interact. energy: -0.736 local terms energy: -63.178134 where: bonds (distance) C4'-P energy: -13.340 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -11.457 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -13.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -169.996400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.996400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.996400 (E_RNA) where: Base-Base interactions energy: -102.424 where: short stacking energy: -54.206 Base-Backbone interact. energy: -0.288 local terms energy: -67.284335 where: bonds (distance) C4'-P energy: -15.439 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -11.699 flat angles P-C4'-P energy: -9.203 tors. eta vs tors. theta energy: -14.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -180.928121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.928121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.928121 (E_RNA) where: Base-Base interactions energy: -122.672 where: short stacking energy: -51.163 Base-Backbone interact. energy: 2.758 local terms energy: -61.014058 where: bonds (distance) C4'-P energy: -15.252 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -16.276 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -8.492 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: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -165.124520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.124520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.124520 (E_RNA) where: Base-Base interactions energy: -100.270 where: short stacking energy: -50.673 Base-Backbone interact. energy: -0.490 local terms energy: -64.364545 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -10.113 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: 5, replica: 10 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -138.255197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.255197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.255197 (E_RNA) where: Base-Base interactions energy: -84.577 where: short stacking energy: -42.696 Base-Backbone interact. energy: -0.403 local terms energy: -53.274837 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -8.402 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -10.477 tors. eta vs tors. theta energy: -9.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -95.221354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.221354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.221354 (E_RNA) where: Base-Base interactions energy: -43.055 where: short stacking energy: -33.847 Base-Backbone interact. energy: -0.057 local terms energy: -52.109174 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -15.760 flat angles C4'-P-C4' energy: -10.117 flat angles P-C4'-P energy: -8.219 tors. eta vs tors. theta energy: -7.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -79.303595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.303595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.303595 (E_RNA) where: Base-Base interactions energy: -28.389 where: short stacking energy: -28.389 Base-Backbone interact. energy: -0.091 local terms energy: -50.823256 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -7.780 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: 8, replica: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -100.639640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.639640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.639640 (E_RNA) where: Base-Base interactions energy: -49.075 where: short stacking energy: -32.186 Base-Backbone interact. energy: -0.147 local terms energy: -51.417635 where: bonds (distance) C4'-P energy: -11.216 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -7.773 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: 5 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -64.479579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.479579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.479579 (E_RNA) where: Base-Base interactions energy: -22.738 where: short stacking energy: -20.249 Base-Backbone interact. energy: -0.237 local terms energy: -41.504901 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -0.515 flat angles P-C4'-P energy: -9.620 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -71.609219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.609219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.609219 (E_RNA) where: Base-Base interactions energy: -27.882 where: short stacking energy: -27.055 Base-Backbone interact. energy: -0.134 local terms energy: -43.593469 where: bonds (distance) C4'-P energy: -9.861 bonds (distance) P-C4' energy: -10.634 flat angles C4'-P-C4' energy: -14.222 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -0.674 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: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -188.564429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.564429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.564429 (E_RNA) where: Base-Base interactions energy: -123.761 where: short stacking energy: -60.121 Base-Backbone interact. energy: -0.088 local terms energy: -64.714787 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -14.758 flat angles C4'-P-C4' energy: -15.919 flat angles P-C4'-P energy: -7.300 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: 2, replica: 7 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -168.852637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.852637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.852637 (E_RNA) where: Base-Base interactions energy: -104.010 where: short stacking energy: -56.683 Base-Backbone interact. energy: -0.008 local terms energy: -64.834545 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -16.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -174.300820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.300820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.300820 (E_RNA) where: Base-Base interactions energy: -114.773 where: short stacking energy: -60.201 Base-Backbone interact. energy: 0.938 local terms energy: -60.465743 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -11.077 flat angles C4'-P-C4' energy: -12.745 flat angles P-C4'-P energy: -6.472 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: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -168.570018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.570018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.570018 (E_RNA) where: Base-Base interactions energy: -99.469 where: short stacking energy: -50.973 Base-Backbone interact. energy: -0.760 local terms energy: -68.340640 where: bonds (distance) C4'-P energy: -14.499 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -12.386 flat angles P-C4'-P energy: -7.690 tors. eta vs tors. theta energy: -17.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -126.955452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.955452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.955452 (E_RNA) where: Base-Base interactions energy: -69.805 where: short stacking energy: -40.253 Base-Backbone interact. energy: -0.077 local terms energy: -57.072975 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -10.851 flat angles P-C4'-P energy: -6.220 tors. eta vs tors. theta energy: -10.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -142.001531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.001531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.001531 (E_RNA) where: Base-Base interactions energy: -89.443 where: short stacking energy: -40.439 Base-Backbone interact. energy: -0.317 local terms energy: -52.241175 where: bonds (distance) C4'-P energy: -10.073 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -15.702 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -9.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -93.869893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.869893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.869893 (E_RNA) where: Base-Base interactions energy: -51.620 where: short stacking energy: -30.954 Base-Backbone interact. energy: -0.338 local terms energy: -41.911986 where: bonds (distance) C4'-P energy: -10.900 bonds (distance) P-C4' energy: -12.528 flat angles C4'-P-C4' energy: -12.281 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -75.870186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.870186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.870186 (E_RNA) where: Base-Base interactions energy: -28.520 where: short stacking energy: -24.091 Base-Backbone interact. energy: -0.189 local terms energy: -47.161037 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -11.205 flat angles C4'-P-C4' energy: -9.297 flat angles P-C4'-P energy: -7.543 tors. eta vs tors. theta energy: -5.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -80.052400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.052400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.052400 (E_RNA) where: Base-Base interactions energy: -30.079 where: short stacking energy: -30.079 Base-Backbone interact. energy: 0.036 local terms energy: -50.009054 where: bonds (distance) C4'-P energy: -15.666 bonds (distance) P-C4' energy: -15.291 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -4.392 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: 10, replica: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -70.455842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.455842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.455842 (E_RNA) where: Base-Base interactions energy: -20.646 where: short stacking energy: -20.646 Base-Backbone interact. energy: -0.403 local terms energy: -49.406687 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -2.299 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: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -194.691937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.691937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.691937 (E_RNA) where: Base-Base interactions energy: -132.511 where: short stacking energy: -61.321 Base-Backbone interact. energy: -0.492 local terms energy: -61.688287 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -9.526 tors. eta vs tors. theta energy: -12.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -172.097482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.097482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.097482 (E_RNA) where: Base-Base interactions energy: -109.557 where: short stacking energy: -58.230 Base-Backbone interact. energy: 1.263 local terms energy: -63.803187 where: bonds (distance) C4'-P energy: -14.085 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -12.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -162.012395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.012395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.012395 (E_RNA) where: Base-Base interactions energy: -101.605 where: short stacking energy: -50.097 Base-Backbone interact. energy: -0.630 local terms energy: -59.776948 where: bonds (distance) C4'-P energy: -10.693 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -13.995 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: -13.373 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: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -169.074210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.074210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.074210 (E_RNA) where: Base-Base interactions energy: -115.859 where: short stacking energy: -61.814 Base-Backbone interact. energy: 0.873 local terms energy: -54.088436 where: bonds (distance) C4'-P energy: -7.397 bonds (distance) P-C4' energy: -12.838 flat angles C4'-P-C4' energy: -11.483 flat angles P-C4'-P energy: -3.062 tors. eta vs tors. theta energy: -19.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -107.356289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.356289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.356289 (E_RNA) where: Base-Base interactions energy: -46.925 where: short stacking energy: -45.438 Base-Backbone interact. energy: -0.006 local terms energy: -60.425598 where: bonds (distance) C4'-P energy: -9.693 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -12.110 tors. eta vs tors. theta energy: -10.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -116.508155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.508155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.508155 (E_RNA) where: Base-Base interactions energy: -68.525 where: short stacking energy: -35.606 Base-Backbone interact. energy: 0.286 local terms energy: -48.269710 where: bonds (distance) C4'-P energy: -15.393 bonds (distance) P-C4' energy: -10.501 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -10.086 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -90.539533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.539533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.539533 (E_RNA) where: Base-Base interactions energy: -41.064 where: short stacking energy: -38.043 Base-Backbone interact. energy: -0.030 local terms energy: -49.445588 where: bonds (distance) C4'-P energy: -13.661 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -10.210 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -6.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -76.770058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.770058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.770058 (E_RNA) where: Base-Base interactions energy: -37.124 where: short stacking energy: -30.515 Base-Backbone interact. energy: -0.326 local terms energy: -39.319853 where: bonds (distance) C4'-P energy: -10.523 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -7.730 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: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -69.003070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.003070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.003070 (E_RNA) where: Base-Base interactions energy: -20.555 where: short stacking energy: -16.756 Base-Backbone interact. energy: -0.572 local terms energy: -47.876577 where: bonds (distance) C4'-P energy: -12.632 bonds (distance) P-C4' energy: -13.655 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -9.004 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: 10, replica: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -63.468507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.468507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.468507 (E_RNA) where: Base-Base interactions energy: -16.793 where: short stacking energy: -13.943 Base-Backbone interact. energy: -1.291 local terms energy: -45.384088 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -9.107 flat angles P-C4'-P energy: -8.652 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: 1 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -190.537581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.537581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.537581 (E_RNA) where: Base-Base interactions energy: -122.139 where: short stacking energy: -58.270 Base-Backbone interact. energy: -0.095 local terms energy: -68.303965 where: bonds (distance) C4'-P energy: -14.855 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -15.700 flat angles P-C4'-P energy: -10.744 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: 2, replica: 7 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -179.466406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.466406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.466406 (E_RNA) where: Base-Base interactions energy: -118.829 where: short stacking energy: -64.130 Base-Backbone interact. energy: -0.064 local terms energy: -60.573993 where: bonds (distance) C4'-P energy: -9.904 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -15.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -170.885853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.885853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.885853 (E_RNA) where: Base-Base interactions energy: -101.969 where: short stacking energy: -46.776 Base-Backbone interact. energy: -0.770 local terms energy: -68.146682 where: bonds (distance) C4'-P energy: -14.677 bonds (distance) P-C4' energy: -14.027 flat angles C4'-P-C4' energy: -14.937 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: -14.285 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: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -166.941818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.941818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.941818 (E_RNA) where: Base-Base interactions energy: -111.919 where: short stacking energy: -54.554 Base-Backbone interact. energy: -0.111 local terms energy: -54.911306 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -10.108 flat angles C4'-P-C4' energy: -11.157 flat angles P-C4'-P energy: -10.776 tors. eta vs tors. theta energy: -9.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -94.023714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.023714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.023714 (E_RNA) where: Base-Base interactions energy: -45.455 where: short stacking energy: -31.077 Base-Backbone interact. energy: -0.752 local terms energy: -47.816221 where: bonds (distance) C4'-P energy: -14.543 bonds (distance) P-C4' energy: -11.561 flat angles C4'-P-C4' energy: -12.375 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -3.122 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: 9 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -110.497495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.497495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.497495 (E_RNA) where: Base-Base interactions energy: -58.018 where: short stacking energy: -38.490 Base-Backbone interact. energy: -0.071 local terms energy: -52.408945 where: bonds (distance) C4'-P energy: -11.273 bonds (distance) P-C4' energy: -12.521 flat angles C4'-P-C4' energy: -10.291 flat angles P-C4'-P energy: -7.653 tors. eta vs tors. theta energy: -10.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -84.993876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.993876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.993876 (E_RNA) where: Base-Base interactions energy: -30.348 where: short stacking energy: -30.348 Base-Backbone interact. energy: 0.384 local terms energy: -55.029406 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -16.246 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: -2.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -103.591103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.591103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.591103 (E_RNA) where: Base-Base interactions energy: -53.051 where: short stacking energy: -32.685 Base-Backbone interact. energy: -0.456 local terms energy: -50.084168 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -11.511 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -73.243075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.243075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.243075 (E_RNA) where: Base-Base interactions energy: -30.472 where: short stacking energy: -14.308 Base-Backbone interact. energy: 0.343 local terms energy: -43.114333 where: bonds (distance) C4'-P energy: -14.460 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -9.064 flat angles P-C4'-P energy: -10.484 tors. eta vs tors. theta energy: 3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -67.894538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.894538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.894538 (E_RNA) where: Base-Base interactions energy: -21.111 where: short stacking energy: -17.248 Base-Backbone interact. energy: -0.105 local terms energy: -46.678829 where: bonds (distance) C4'-P energy: -9.721 bonds (distance) P-C4' energy: -14.071 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -179.534435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.534435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.534435 (E_RNA) where: Base-Base interactions energy: -112.195 where: short stacking energy: -62.529 Base-Backbone interact. energy: 0.256 local terms energy: -67.595939 where: bonds (distance) C4'-P energy: -13.887 bonds (distance) P-C4' energy: -15.349 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -10.662 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: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -184.985511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.985511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.985511 (E_RNA) where: Base-Base interactions energy: -116.166 where: short stacking energy: -58.787 Base-Backbone interact. energy: -0.047 local terms energy: -68.772127 where: bonds (distance) C4'-P energy: -13.966 bonds (distance) P-C4' energy: -9.735 flat angles C4'-P-C4' energy: -16.484 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -19.458 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: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -170.628361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.628361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.628361 (E_RNA) where: Base-Base interactions energy: -104.370 where: short stacking energy: -50.314 Base-Backbone interact. energy: -1.157 local terms energy: -65.100987 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -13.777 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: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -160.613053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.613053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.613053 (E_RNA) where: Base-Base interactions energy: -105.846 where: short stacking energy: -60.011 Base-Backbone interact. energy: -0.021 local terms energy: -54.746662 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -10.316 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -11.307 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: 10 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -92.604416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.604416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.604416 (E_RNA) where: Base-Base interactions energy: -38.672 where: short stacking energy: -22.746 Base-Backbone interact. energy: -0.413 local terms energy: -53.518962 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -14.837 flat angles C4'-P-C4' energy: -13.882 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -0.934 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: 2 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -86.453061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.453061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.453061 (E_RNA) where: Base-Base interactions energy: -35.990 where: short stacking energy: -32.892 Base-Backbone interact. energy: 0.045 local terms energy: -50.508940 where: bonds (distance) C4'-P energy: -11.260 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -11.370 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -5.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -97.037023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.037023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.037023 (E_RNA) where: Base-Base interactions energy: -50.155 where: short stacking energy: -33.090 Base-Backbone interact. energy: 1.087 local terms energy: -47.968882 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -12.682 flat angles C4'-P-C4' energy: -10.814 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -7.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -80.951803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.951803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.951803 (E_RNA) where: Base-Base interactions energy: -33.723 where: short stacking energy: -33.723 Base-Backbone interact. energy: -0.046 local terms energy: -47.182976 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -11.885 flat angles C4'-P-C4' energy: -9.940 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -5.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -78.899233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.899233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.899233 (E_RNA) where: Base-Base interactions energy: -37.480 where: short stacking energy: -21.854 Base-Backbone interact. energy: -0.019 local terms energy: -41.400290 where: bonds (distance) C4'-P energy: -9.279 bonds (distance) P-C4' energy: -9.679 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -8.043 tors. eta vs tors. theta energy: -0.984 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: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -63.350571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.350571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.350571 (E_RNA) where: Base-Base interactions energy: -16.710 where: short stacking energy: -16.710 Base-Backbone interact. energy: -0.001 local terms energy: -46.639571 where: bonds (distance) C4'-P energy: -8.806 bonds (distance) P-C4' energy: -12.434 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -13.727 tors. eta vs tors. theta energy: 1.212 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: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -185.531385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.531385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.531385 (E_RNA) where: Base-Base interactions energy: -112.740 where: short stacking energy: -62.448 Base-Backbone interact. energy: -0.512 local terms energy: -72.279054 where: bonds (distance) C4'-P energy: -13.881 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -14.642 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -19.644 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: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -161.827076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.827076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.827076 (E_RNA) where: Base-Base interactions energy: -99.143 where: short stacking energy: -51.575 Base-Backbone interact. energy: -0.104 local terms energy: -62.579922 where: bonds (distance) C4'-P energy: -14.204 bonds (distance) P-C4' energy: -11.649 flat angles C4'-P-C4' energy: -15.284 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -11.225 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: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -166.398867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.398867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.398867 (E_RNA) where: Base-Base interactions energy: -111.961 where: short stacking energy: -55.355 Base-Backbone interact. energy: -0.155 local terms energy: -54.283543 where: bonds (distance) C4'-P energy: -5.640 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -14.713 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: 4, replica: 3 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -161.967467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.967467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.967467 (E_RNA) where: Base-Base interactions energy: -94.272 where: short stacking energy: -50.451 Base-Backbone interact. energy: -2.188 local terms energy: -65.507029 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -12.043 flat angles P-C4'-P energy: -7.544 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: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -92.721786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.721786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.721786 (E_RNA) where: Base-Base interactions energy: -39.321 where: short stacking energy: -36.094 Base-Backbone interact. energy: -0.003 local terms energy: -53.398197 where: bonds (distance) C4'-P energy: -11.443 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -11.986 tors. eta vs tors. theta energy: -7.053 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: 88 Temperature: 1.150000 Total energy: -85.043993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.043993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.043993 (E_RNA) where: Base-Base interactions energy: -37.693 where: short stacking energy: -26.323 Base-Backbone interact. energy: -0.052 local terms energy: -47.298559 where: bonds (distance) C4'-P energy: -11.287 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -1.449 tors. eta vs tors. theta energy: -6.860 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: 88 Temperature: 1.200000 Total energy: -84.682617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.682617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.682617 (E_RNA) where: Base-Base interactions energy: -35.296 where: short stacking energy: -26.697 Base-Backbone interact. energy: -0.219 local terms energy: -49.167870 where: bonds (distance) C4'-P energy: -11.378 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -5.134 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: 4 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -71.069388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.069388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.069388 (E_RNA) where: Base-Base interactions energy: -29.919 where: short stacking energy: -16.441 Base-Backbone interact. energy: -0.324 local terms energy: -40.826575 where: bonds (distance) C4'-P energy: -6.587 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -5.483 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -77.211271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.211271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.211271 (E_RNA) where: Base-Base interactions energy: -26.488 where: short stacking energy: -24.658 Base-Backbone interact. energy: -0.304 local terms energy: -50.419961 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -13.070 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -0.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -77.112345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.112345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.112345 (E_RNA) where: Base-Base interactions energy: -41.846 where: short stacking energy: -21.019 Base-Backbone interact. energy: -1.074 local terms energy: -34.192189 where: bonds (distance) C4'-P energy: -10.636 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -13.282 flat angles P-C4'-P energy: -1.498 tors. eta vs tors. theta energy: 4.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -184.821121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.821121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.821121 (E_RNA) where: Base-Base interactions energy: -113.244 where: short stacking energy: -62.358 Base-Backbone interact. energy: -0.867 local terms energy: -70.710135 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -13.086 flat angles C4'-P-C4' energy: -15.846 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -16.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -170.048907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.048907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.048907 (E_RNA) where: Base-Base interactions energy: -103.944 where: short stacking energy: -53.793 Base-Backbone interact. energy: -0.002 local terms energy: -66.102693 where: bonds (distance) C4'-P energy: -12.536 bonds (distance) P-C4' energy: -14.692 flat angles C4'-P-C4' energy: -14.415 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -14.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -171.736104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.736104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.736104 (E_RNA) where: Base-Base interactions energy: -110.250 where: short stacking energy: -44.758 Base-Backbone interact. energy: -0.658 local terms energy: -60.828340 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -11.262 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -9.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -167.923165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.923165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.923165 (E_RNA) where: Base-Base interactions energy: -108.152 where: short stacking energy: -54.863 Base-Backbone interact. energy: -0.063 local terms energy: -59.708268 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -15.149 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: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -96.612862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.612862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.612862 (E_RNA) where: Base-Base interactions energy: -32.567 where: short stacking energy: -32.567 Base-Backbone interact. energy: -0.138 local terms energy: -63.907270 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -15.360 flat angles P-C4'-P energy: -12.660 tors. eta vs tors. theta energy: -6.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -89.370101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.370101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.370101 (E_RNA) where: Base-Base interactions energy: -36.591 where: short stacking energy: -36.591 Base-Backbone interact. energy: -0.146 local terms energy: -52.633091 where: bonds (distance) C4'-P energy: -10.317 bonds (distance) P-C4' energy: -15.441 flat angles C4'-P-C4' energy: -12.659 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -5.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -86.653365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.653365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.653365 (E_RNA) where: Base-Base interactions energy: -38.775 where: short stacking energy: -24.135 Base-Backbone interact. energy: 0.228 local terms energy: -48.106619 where: bonds (distance) C4'-P energy: -15.596 bonds (distance) P-C4' energy: -13.376 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: -0.653 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: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -79.824794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.824794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.824794 (E_RNA) where: Base-Base interactions energy: -33.791 where: short stacking energy: -33.791 Base-Backbone interact. energy: -0.114 local terms energy: -45.919728 where: bonds (distance) C4'-P energy: -12.002 bonds (distance) P-C4' energy: -6.684 flat angles C4'-P-C4' energy: -9.958 flat angles P-C4'-P energy: -10.853 tors. eta vs tors. theta energy: -6.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -77.089746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.089746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.089746 (E_RNA) where: Base-Base interactions energy: -41.618 where: short stacking energy: -19.072 Base-Backbone interact. energy: -0.189 local terms energy: -35.282638 where: bonds (distance) C4'-P energy: -15.326 bonds (distance) P-C4' energy: -6.900 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -73.856456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.856456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.856456 (E_RNA) where: Base-Base interactions energy: -28.535 where: short stacking energy: -25.267 Base-Backbone interact. energy: -1.000 local terms energy: -44.321680 where: bonds (distance) C4'-P energy: -8.871 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: 0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -177.690054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.690054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.690054 (E_RNA) where: Base-Base interactions energy: -117.260 where: short stacking energy: -51.454 Base-Backbone interact. energy: -0.304 local terms energy: -60.125158 where: bonds (distance) C4'-P energy: -13.816 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -14.043 flat angles P-C4'-P energy: -7.827 tors. eta vs tors. theta energy: -12.166 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: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -185.220738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.220738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.220738 (E_RNA) where: Base-Base interactions energy: -113.213 where: short stacking energy: -60.414 Base-Backbone interact. energy: -1.967 local terms energy: -70.040813 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -10.827 flat angles C4'-P-C4' energy: -17.127 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -17.706 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: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -160.206514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.206514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.206514 (E_RNA) where: Base-Base interactions energy: -98.192 where: short stacking energy: -48.112 Base-Backbone interact. energy: -0.079 local terms energy: -61.935892 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -10.030 flat angles C4'-P-C4' energy: -15.830 flat angles P-C4'-P energy: -8.355 tors. eta vs tors. theta energy: -12.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -166.981218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.981218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.981218 (E_RNA) where: Base-Base interactions energy: -102.956 where: short stacking energy: -52.155 Base-Backbone interact. energy: 1.540 local terms energy: -65.564831 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -13.936 flat angles P-C4'-P energy: -10.702 tors. eta vs tors. theta energy: -15.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -118.478278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.478278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.478278 (E_RNA) where: Base-Base interactions energy: -63.953 where: short stacking energy: -43.266 Base-Backbone interact. energy: -0.008 local terms energy: -54.517391 where: bonds (distance) C4'-P energy: -9.778 bonds (distance) P-C4' energy: -12.181 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -7.887 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: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -83.810946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.810946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.810946 (E_RNA) where: Base-Base interactions energy: -37.553 where: short stacking energy: -20.633 Base-Backbone interact. energy: -0.163 local terms energy: -46.094930 where: bonds (distance) C4'-P energy: -11.948 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -10.901 flat angles P-C4'-P energy: -7.926 tors. eta vs tors. theta energy: -1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -103.078435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.078435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.078435 (E_RNA) where: Base-Base interactions energy: -54.158 where: short stacking energy: -26.086 Base-Backbone interact. energy: -0.475 local terms energy: -48.445261 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -16.662 flat angles C4'-P-C4' energy: -11.379 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -79.028663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.028663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.028663 (E_RNA) where: Base-Base interactions energy: -44.698 where: short stacking energy: -23.510 Base-Backbone interact. energy: 0.089 local terms energy: -34.420003 where: bonds (distance) C4'-P energy: -9.717 bonds (distance) P-C4' energy: -10.049 flat angles C4'-P-C4' energy: -9.965 flat angles P-C4'-P energy: -6.704 tors. eta vs tors. theta energy: 2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -76.456160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.456160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.456160 (E_RNA) where: Base-Base interactions energy: -28.779 where: short stacking energy: -22.572 Base-Backbone interact. energy: -0.152 local terms energy: -47.524591 where: bonds (distance) C4'-P energy: -14.304 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -13.933 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -0.746 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: 10, replica: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -67.045217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.045217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.045217 (E_RNA) where: Base-Base interactions energy: -22.943 where: short stacking energy: -22.164 Base-Backbone interact. energy: -0.085 local terms energy: -44.017551 where: bonds (distance) C4'-P energy: -6.915 bonds (distance) P-C4' energy: -11.831 flat angles C4'-P-C4' energy: -13.164 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -180.359948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.359948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.359948 (E_RNA) where: Base-Base interactions energy: -116.385 where: short stacking energy: -58.338 Base-Backbone interact. energy: -0.182 local terms energy: -63.793386 where: bonds (distance) C4'-P energy: -10.668 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -12.719 tors. eta vs tors. theta energy: -9.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -171.808452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.808452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.808452 (E_RNA) where: Base-Base interactions energy: -103.669 where: short stacking energy: -53.568 Base-Backbone interact. energy: -0.609 local terms energy: -67.529996 where: bonds (distance) C4'-P energy: -14.846 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -8.382 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: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -180.178850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.178850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.178850 (E_RNA) where: Base-Base interactions energy: -109.193 where: short stacking energy: -46.868 Base-Backbone interact. energy: -0.087 local terms energy: -70.899548 where: bonds (distance) C4'-P energy: -15.563 bonds (distance) P-C4' energy: -13.231 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -13.348 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: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -165.117125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.117125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.117125 (E_RNA) where: Base-Base interactions energy: -98.909 where: short stacking energy: -51.707 Base-Backbone interact. energy: -0.625 local terms energy: -65.583080 where: bonds (distance) C4'-P energy: -15.028 bonds (distance) P-C4' energy: -10.638 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -10.348 tors. eta vs tors. theta energy: -15.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -102.628986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.628986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.628986 (E_RNA) where: Base-Base interactions energy: -52.656 where: short stacking energy: -38.661 Base-Backbone interact. energy: -0.020 local terms energy: -49.952968 where: bonds (distance) C4'-P energy: -11.108 bonds (distance) P-C4' energy: -9.971 flat angles C4'-P-C4' energy: -9.678 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -8.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -89.849130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.849130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.849130 (E_RNA) where: Base-Base interactions energy: -39.258 where: short stacking energy: -39.258 Base-Backbone interact. energy: -0.337 local terms energy: -50.254040 where: bonds (distance) C4'-P energy: -11.501 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -10.666 flat angles P-C4'-P energy: -6.238 tors. eta vs tors. theta energy: -6.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -79.290039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.290039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.290039 (E_RNA) where: Base-Base interactions energy: -31.020 where: short stacking energy: -15.138 Base-Backbone interact. energy: -0.158 local terms energy: -48.111706 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -15.719 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -0.969 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: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -81.930274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.930274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.930274 (E_RNA) where: Base-Base interactions energy: -35.026 where: short stacking energy: -26.693 Base-Backbone interact. energy: -0.228 local terms energy: -46.675726 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -10.108 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -71.942898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.942898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.942898 (E_RNA) where: Base-Base interactions energy: -25.729 where: short stacking energy: -24.785 Base-Backbone interact. energy: 1.043 local terms energy: -47.256614 where: bonds (distance) C4'-P energy: -11.055 bonds (distance) P-C4' energy: -13.988 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -9.412 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -67.186433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.186433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.186433 (E_RNA) where: Base-Base interactions energy: -21.291 where: short stacking energy: -15.795 Base-Backbone interact. energy: -0.217 local terms energy: -45.678432 where: bonds (distance) C4'-P energy: -10.868 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -10.481 flat angles P-C4'-P energy: -8.285 tors. eta vs tors. theta energy: -2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -181.708076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.708076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.708076 (E_RNA) where: Base-Base interactions energy: -120.427 where: short stacking energy: -49.492 Base-Backbone interact. energy: -0.918 local terms energy: -60.362672 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -14.747 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -5.788 tors. eta vs tors. theta energy: -10.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -165.550230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.550230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.550230 (E_RNA) where: Base-Base interactions energy: -113.724 where: short stacking energy: -52.359 Base-Backbone interact. energy: -0.089 local terms energy: -51.737259 where: bonds (distance) C4'-P energy: -7.953 bonds (distance) P-C4' energy: -14.633 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -10.451 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: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -170.677827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.677827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.677827 (E_RNA) where: Base-Base interactions energy: -104.520 where: short stacking energy: -56.567 Base-Backbone interact. energy: -0.803 local terms energy: -65.354291 where: bonds (distance) C4'-P energy: -11.904 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -11.506 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: 92 Temperature: 1.050000 Total energy: -173.005484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.005484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.005484 (E_RNA) where: Base-Base interactions energy: -117.750 where: short stacking energy: -48.111 Base-Backbone interact. energy: -0.165 local terms energy: -55.091442 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -12.292 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -5.639 tors. eta vs tors. theta energy: -11.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -90.521191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.521191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.521191 (E_RNA) where: Base-Base interactions energy: -42.263 where: short stacking energy: -29.116 Base-Backbone interact. energy: 0.328 local terms energy: -48.585439 where: bonds (distance) C4'-P energy: -7.937 bonds (distance) P-C4' energy: -13.474 flat angles C4'-P-C4' energy: -9.856 flat angles P-C4'-P energy: -10.871 tors. eta vs tors. theta energy: -6.448 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: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -88.584879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.584879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.584879 (E_RNA) where: Base-Base interactions energy: -34.861 where: short stacking energy: -34.961 Base-Backbone interact. energy: -0.045 local terms energy: -53.678987 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -12.429 flat angles C4'-P-C4' energy: -15.949 flat angles P-C4'-P energy: -8.262 tors. eta vs tors. theta energy: -4.519 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: 5 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -89.731619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.731619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.731619 (E_RNA) where: Base-Base interactions energy: -42.139 where: short stacking energy: -31.175 Base-Backbone interact. energy: -0.120 local terms energy: -47.471948 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -9.456 flat angles C4'-P-C4' energy: -11.111 flat angles P-C4'-P energy: -11.614 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: 8, replica: 2 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -81.251227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.251227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.251227 (E_RNA) where: Base-Base interactions energy: -34.754 where: short stacking energy: -27.222 Base-Backbone interact. energy: -0.020 local terms energy: -46.476814 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -15.657 flat angles C4'-P-C4' energy: -11.050 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -71.341177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.341177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.341177 (E_RNA) where: Base-Base interactions energy: -27.284 where: short stacking energy: -24.969 Base-Backbone interact. energy: 0.995 local terms energy: -45.052115 where: bonds (distance) C4'-P energy: -14.949 bonds (distance) P-C4' energy: -8.319 flat angles C4'-P-C4' energy: -10.087 flat angles P-C4'-P energy: -7.361 tors. eta vs tors. theta energy: -4.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -79.372415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.372415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.372415 (E_RNA) where: Base-Base interactions energy: -30.610 where: short stacking energy: -30.403 Base-Backbone interact. energy: -0.117 local terms energy: -48.646072 where: bonds (distance) C4'-P energy: -13.537 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -11.292 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -181.580466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.580466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.580466 (E_RNA) where: Base-Base interactions energy: -114.330 where: short stacking energy: -54.896 Base-Backbone interact. energy: -0.823 local terms energy: -66.426937 where: bonds (distance) C4'-P energy: -15.305 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -11.532 flat angles P-C4'-P energy: -10.512 tors. eta vs tors. theta energy: -12.882 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: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -178.019796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.019796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.019796 (E_RNA) where: Base-Base interactions energy: -109.225 where: short stacking energy: -59.792 Base-Backbone interact. energy: -0.970 local terms energy: -67.824785 where: bonds (distance) C4'-P energy: -15.497 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -9.619 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: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -188.954026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.954026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.954026 (E_RNA) where: Base-Base interactions energy: -128.478 where: short stacking energy: -59.115 Base-Backbone interact. energy: -0.110 local terms energy: -60.365958 where: bonds (distance) C4'-P energy: -9.874 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -14.939 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -16.047 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: 4, replica: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -165.123569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.123569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.123569 (E_RNA) where: Base-Base interactions energy: -97.233 where: short stacking energy: -56.818 Base-Backbone interact. energy: -0.134 local terms energy: -67.756610 where: bonds (distance) C4'-P energy: -9.621 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -15.557 flat angles P-C4'-P energy: -8.967 tors. eta vs tors. theta energy: -18.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -100.350491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.350491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.350491 (E_RNA) where: Base-Base interactions energy: -46.957 where: short stacking energy: -46.957 Base-Backbone interact. energy: -0.077 local terms energy: -53.316514 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -13.175 flat angles C4'-P-C4' energy: -9.289 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -15.433 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: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -86.396729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.396729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.396729 (E_RNA) where: Base-Base interactions energy: -41.581 where: short stacking energy: -32.652 Base-Backbone interact. energy: -0.251 local terms energy: -44.564969 where: bonds (distance) C4'-P energy: -12.229 bonds (distance) P-C4' energy: -11.312 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -2.122 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: 7, replica: 5 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -84.802553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.802553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.802553 (E_RNA) where: Base-Base interactions energy: -27.825 where: short stacking energy: -27.825 Base-Backbone interact. energy: -0.074 local terms energy: -56.903589 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -13.322 flat angles P-C4'-P energy: -9.900 tors. eta vs tors. theta energy: -6.150 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: 4 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -66.528282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.528282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.528282 (E_RNA) where: Base-Base interactions energy: -21.524 where: short stacking energy: -21.503 Base-Backbone interact. energy: -0.219 local terms energy: -44.785675 where: bonds (distance) C4'-P energy: -12.644 bonds (distance) P-C4' energy: -13.048 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -9.023 tors. eta vs tors. theta energy: 0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -71.234643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.234643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.234643 (E_RNA) where: Base-Base interactions energy: -15.455 where: short stacking energy: -13.841 Base-Backbone interact. energy: -0.205 local terms energy: -55.574099 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -11.177 tors. eta vs tors. theta energy: -3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -64.751385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.751385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.751385 (E_RNA) where: Base-Base interactions energy: -17.972 where: short stacking energy: -17.972 Base-Backbone interact. energy: -0.255 local terms energy: -46.523713 where: bonds (distance) C4'-P energy: -5.337 bonds (distance) P-C4' energy: -9.496 flat angles C4'-P-C4' energy: -12.665 flat angles P-C4'-P energy: -14.221 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -184.872564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.872564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.872564 (E_RNA) where: Base-Base interactions energy: -122.365 where: short stacking energy: -63.861 Base-Backbone interact. energy: -0.082 local terms energy: -62.426106 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -15.490 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -15.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -180.800678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.800678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.800678 (E_RNA) where: Base-Base interactions energy: -118.749 where: short stacking energy: -46.866 Base-Backbone interact. energy: -0.051 local terms energy: -62.000396 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -10.875 flat angles C4'-P-C4' energy: -15.087 flat angles P-C4'-P energy: -10.718 tors. eta vs tors. theta energy: -13.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -178.999661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.999661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.999661 (E_RNA) where: Base-Base interactions energy: -110.650 where: short stacking energy: -55.687 Base-Backbone interact. energy: -0.009 local terms energy: -68.340807 where: bonds (distance) C4'-P energy: -15.910 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -12.598 flat angles P-C4'-P energy: -7.659 tors. eta vs tors. theta energy: -18.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -171.899148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.899148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.899148 (E_RNA) where: Base-Base interactions energy: -106.676 where: short stacking energy: -53.135 Base-Backbone interact. energy: -0.000 local terms energy: -65.223134 where: bonds (distance) C4'-P energy: -8.808 bonds (distance) P-C4' energy: -16.876 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -16.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -117.212676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.212676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.212676 (E_RNA) where: Base-Base interactions energy: -56.445 where: short stacking energy: -40.991 Base-Backbone interact. energy: -0.142 local terms energy: -60.626137 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -13.434 flat angles C4'-P-C4' energy: -17.162 flat angles P-C4'-P energy: -6.640 tors. eta vs tors. theta energy: -9.533 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: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -98.085583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.085583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.085583 (E_RNA) where: Base-Base interactions energy: -48.356 where: short stacking energy: -31.099 Base-Backbone interact. energy: 1.492 local terms energy: -51.221522 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -11.275 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -9.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -76.552821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.552821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.552821 (E_RNA) where: Base-Base interactions energy: -34.243 where: short stacking energy: -33.073 Base-Backbone interact. energy: -0.149 local terms energy: -42.160891 where: bonds (distance) C4'-P energy: -9.888 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -7.463 tors. eta vs tors. theta energy: -4.802 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: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -91.870794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.870794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.870794 (E_RNA) where: Base-Base interactions energy: -49.284 where: short stacking energy: -24.067 Base-Backbone interact. energy: -0.080 local terms energy: -42.506986 where: bonds (distance) C4'-P energy: -11.647 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -7.811 flat angles P-C4'-P energy: -8.772 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -77.434779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.434779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.434779 (E_RNA) where: Base-Base interactions energy: -35.392 where: short stacking energy: -28.568 Base-Backbone interact. energy: -0.204 local terms energy: -41.839150 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -9.862 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -68.920747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.920747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.920747 (E_RNA) where: Base-Base interactions energy: -24.558 where: short stacking energy: -23.821 Base-Backbone interact. energy: -0.029 local terms energy: -44.334299 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -9.102 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -2.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -178.825925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.825925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.825925 (E_RNA) where: Base-Base interactions energy: -118.785 where: short stacking energy: -54.011 Base-Backbone interact. energy: -0.094 local terms energy: -59.946186 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -16.460 flat angles C4'-P-C4' energy: -11.550 flat angles P-C4'-P energy: -6.319 tors. eta vs tors. theta energy: -12.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -188.478881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.478881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.478881 (E_RNA) where: Base-Base interactions energy: -120.658 where: short stacking energy: -62.405 Base-Backbone interact. energy: -0.000 local terms energy: -67.820718 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -15.578 flat angles C4'-P-C4' energy: -14.753 flat angles P-C4'-P energy: -8.423 tors. eta vs tors. theta energy: -16.033 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: 7 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -171.082376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.082376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.082376 (E_RNA) where: Base-Base interactions energy: -115.027 where: short stacking energy: -53.208 Base-Backbone interact. energy: -0.143 local terms energy: -55.912840 where: bonds (distance) C4'-P energy: -8.126 bonds (distance) P-C4' energy: -10.027 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -11.966 tors. eta vs tors. theta energy: -11.874 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: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -175.341942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.341942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.341942 (E_RNA) where: Base-Base interactions energy: -105.092 where: short stacking energy: -56.352 Base-Backbone interact. energy: -0.050 local terms energy: -70.199257 where: bonds (distance) C4'-P energy: -14.607 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -11.003 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: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -105.621360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.621360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.621360 (E_RNA) where: Base-Base interactions energy: -52.408 where: short stacking energy: -28.145 Base-Backbone interact. energy: -0.954 local terms energy: -52.259460 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -16.662 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -85.592962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.592962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.592962 (E_RNA) where: Base-Base interactions energy: -32.601 where: short stacking energy: -27.175 Base-Backbone interact. energy: -0.139 local terms energy: -52.852158 where: bonds (distance) C4'-P energy: -11.241 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -15.621 flat angles P-C4'-P energy: -6.888 tors. eta vs tors. theta energy: -6.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -77.568322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.568322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.568322 (E_RNA) where: Base-Base interactions energy: -32.347 where: short stacking energy: -32.347 Base-Backbone interact. energy: -0.094 local terms energy: -45.126912 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -9.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -90.935407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.935407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.935407 (E_RNA) where: Base-Base interactions energy: -43.913 where: short stacking energy: -32.959 Base-Backbone interact. energy: 0.025 local terms energy: -47.047776 where: bonds (distance) C4'-P energy: -14.329 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -74.378484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.378484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.378484 (E_RNA) where: Base-Base interactions energy: -38.026 where: short stacking energy: -16.194 Base-Backbone interact. energy: -0.212 local terms energy: -36.141013 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -3.598 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: 2 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -77.015190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.015190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.015190 (E_RNA) where: Base-Base interactions energy: -34.436 where: short stacking energy: -25.224 Base-Backbone interact. energy: -0.006 local terms energy: -42.572526 where: bonds (distance) C4'-P energy: -9.736 bonds (distance) P-C4' energy: -10.015 flat angles C4'-P-C4' energy: -10.267 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -180.227375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.227375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.227375 (E_RNA) where: Base-Base interactions energy: -111.136 where: short stacking energy: -53.123 Base-Backbone interact. energy: -0.999 local terms energy: -68.092050 where: bonds (distance) C4'-P energy: -12.996 bonds (distance) P-C4' energy: -14.951 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -10.259 tors. eta vs tors. theta energy: -15.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -177.955030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.955030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.955030 (E_RNA) where: Base-Base interactions energy: -105.640 where: short stacking energy: -64.000 Base-Backbone interact. energy: -0.204 local terms energy: -72.111186 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -9.150 tors. eta vs tors. theta energy: -21.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -162.063475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.063475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.063475 (E_RNA) where: Base-Base interactions energy: -106.607 where: short stacking energy: -43.843 Base-Backbone interact. energy: -0.869 local terms energy: -54.587257 where: bonds (distance) C4'-P energy: -10.202 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -13.774 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: -8.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -173.850773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.850773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.850773 (E_RNA) where: Base-Base interactions energy: -115.016 where: short stacking energy: -51.602 Base-Backbone interact. energy: -0.126 local terms energy: -58.708719 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -11.942 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -9.885 tors. eta vs tors. theta energy: -13.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -112.892686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.892686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.892686 (E_RNA) where: Base-Base interactions energy: -61.998 where: short stacking energy: -35.341 Base-Backbone interact. energy: 0.224 local terms energy: -51.119326 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -13.808 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -105.408152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.408152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.408152 (E_RNA) where: Base-Base interactions energy: -52.749 where: short stacking energy: -26.342 Base-Backbone interact. energy: 0.027 local terms energy: -52.686078 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -11.462 flat angles P-C4'-P energy: -11.489 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -86.170893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.170893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.170893 (E_RNA) where: Base-Base interactions energy: -34.084 where: short stacking energy: -19.406 Base-Backbone interact. energy: -0.395 local terms energy: -51.692180 where: bonds (distance) C4'-P energy: -10.748 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -12.264 flat angles P-C4'-P energy: -7.056 tors. eta vs tors. theta energy: -5.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -83.180175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.180175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.180175 (E_RNA) where: Base-Base interactions energy: -33.221 where: short stacking energy: -33.221 Base-Backbone interact. energy: -0.054 local terms energy: -49.904921 where: bonds (distance) C4'-P energy: -10.481 bonds (distance) P-C4' energy: -14.705 flat angles C4'-P-C4' energy: -9.762 flat angles P-C4'-P energy: -7.093 tors. eta vs tors. theta energy: -7.863 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: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -73.867985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.867985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.867985 (E_RNA) where: Base-Base interactions energy: -30.007 where: short stacking energy: -29.023 Base-Backbone interact. energy: -0.141 local terms energy: -43.719545 where: bonds (distance) C4'-P energy: -7.861 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -11.548 flat angles P-C4'-P energy: -6.456 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: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -88.668883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.668883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.668883 (E_RNA) where: Base-Base interactions energy: -33.991 where: short stacking energy: -24.056 Base-Backbone interact. energy: 1.326 local terms energy: -56.004035 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -14.408 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -5.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -183.208454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.208454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.208454 (E_RNA) where: Base-Base interactions energy: -121.375 where: short stacking energy: -50.172 Base-Backbone interact. energy: -0.180 local terms energy: -61.653278 where: bonds (distance) C4'-P energy: -14.316 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -12.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -169.437227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.437227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.437227 (E_RNA) where: Base-Base interactions energy: -109.777 where: short stacking energy: -49.067 Base-Backbone interact. energy: -0.755 local terms energy: -58.905867 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -11.687 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -11.610 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: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -164.556203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.556203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.556203 (E_RNA) where: Base-Base interactions energy: -104.058 where: short stacking energy: -45.776 Base-Backbone interact. energy: -1.119 local terms energy: -59.379220 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -12.725 flat angles P-C4'-P energy: -10.901 tors. eta vs tors. theta energy: -7.603 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: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -170.457918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.457918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.457918 (E_RNA) where: Base-Base interactions energy: -113.569 where: short stacking energy: -46.006 Base-Backbone interact. energy: -0.189 local terms energy: -56.700174 where: bonds (distance) C4'-P energy: -11.522 bonds (distance) P-C4' energy: -10.393 flat angles C4'-P-C4' energy: -11.623 flat angles P-C4'-P energy: -11.633 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: 5, replica: 8 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -118.596581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.596581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.596581 (E_RNA) where: Base-Base interactions energy: -63.690 where: short stacking energy: -35.868 Base-Backbone interact. energy: -0.856 local terms energy: -54.051381 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -11.547 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -9.555 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: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -94.145628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.145628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.145628 (E_RNA) where: Base-Base interactions energy: -49.687 where: short stacking energy: -27.485 Base-Backbone interact. energy: -0.030 local terms energy: -44.428965 where: bonds (distance) C4'-P energy: -9.884 bonds (distance) P-C4' energy: -10.521 flat angles C4'-P-C4' energy: -13.721 flat angles P-C4'-P energy: -3.833 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: 7, replica: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -80.609178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.609178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.609178 (E_RNA) where: Base-Base interactions energy: -30.319 where: short stacking energy: -17.964 Base-Backbone interact. energy: -0.089 local terms energy: -50.201001 where: bonds (distance) C4'-P energy: -13.294 bonds (distance) P-C4' energy: -14.623 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -77.937648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.937648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.937648 (E_RNA) where: Base-Base interactions energy: -29.317 where: short stacking energy: -19.119 Base-Backbone interact. energy: -0.195 local terms energy: -48.425182 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -8.623 tors. eta vs tors. theta energy: -1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -68.274641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.274641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.274641 (E_RNA) where: Base-Base interactions energy: -21.564 where: short stacking energy: -21.207 Base-Backbone interact. energy: -0.350 local terms energy: -46.360576 where: bonds (distance) C4'-P energy: -6.033 bonds (distance) P-C4' energy: -14.150 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -10.519 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -67.931022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.931022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.931022 (E_RNA) where: Base-Base interactions energy: -24.637 where: short stacking energy: -22.831 Base-Backbone interact. energy: -0.101 local terms energy: -43.193476 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -9.605 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -0.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -187.330750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.330750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.330750 (E_RNA) where: Base-Base interactions energy: -117.250 where: short stacking energy: -60.091 Base-Backbone interact. energy: -1.376 local terms energy: -68.703984 where: bonds (distance) C4'-P energy: -14.067 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -13.090 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: 2, replica: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -182.251139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.251139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.251139 (E_RNA) where: Base-Base interactions energy: -113.605 where: short stacking energy: -56.944 Base-Backbone interact. energy: -0.452 local terms energy: -68.193948 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -15.507 flat angles P-C4'-P energy: -10.080 tors. eta vs tors. theta energy: -15.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -167.792266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.792266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.792266 (E_RNA) where: Base-Base interactions energy: -108.505 where: short stacking energy: -53.943 Base-Backbone interact. energy: -0.089 local terms energy: -59.197727 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -11.310 flat angles C4'-P-C4' energy: -14.003 flat angles P-C4'-P energy: -9.959 tors. eta vs tors. theta energy: -12.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -170.526696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.526696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.526696 (E_RNA) where: Base-Base interactions energy: -112.463 where: short stacking energy: -52.906 Base-Backbone interact. energy: -0.208 local terms energy: -57.854996 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -10.616 tors. eta vs tors. theta energy: -11.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -110.112418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.112418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.112418 (E_RNA) where: Base-Base interactions energy: -44.496 where: short stacking energy: -42.264 Base-Backbone interact. energy: -0.000 local terms energy: -65.615842 where: bonds (distance) C4'-P energy: -16.116 bonds (distance) P-C4' energy: -12.653 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -11.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -98.430943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.430943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.430943 (E_RNA) where: Base-Base interactions energy: -40.430 where: short stacking energy: -33.814 Base-Backbone interact. energy: -0.113 local terms energy: -57.888135 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -15.547 flat angles P-C4'-P energy: -8.466 tors. eta vs tors. theta energy: -7.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -98.996386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.996386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.996386 (E_RNA) where: Base-Base interactions energy: -58.141 where: short stacking energy: -36.885 Base-Backbone interact. energy: -0.001 local terms energy: -40.854474 where: bonds (distance) C4'-P energy: -5.416 bonds (distance) P-C4' energy: -12.004 flat angles C4'-P-C4' energy: -16.604 flat angles P-C4'-P energy: -2.916 tors. eta vs tors. theta energy: -3.916 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: 4 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -82.427902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.427902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.427902 (E_RNA) where: Base-Base interactions energy: -30.371 where: short stacking energy: -30.371 Base-Backbone interact. energy: -0.095 local terms energy: -51.962070 where: bonds (distance) C4'-P energy: -13.616 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -14.386 flat angles P-C4'-P energy: -8.220 tors. eta vs tors. theta energy: -4.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -69.640347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.640347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.640347 (E_RNA) where: Base-Base interactions energy: -22.824 where: short stacking energy: -22.824 Base-Backbone interact. energy: -0.126 local terms energy: -46.690621 where: bonds (distance) C4'-P energy: -14.762 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -12.818 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: 3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -82.320642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.320642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.320642 (E_RNA) where: Base-Base interactions energy: -31.060 where: short stacking energy: -30.512 Base-Backbone interact. energy: 0.099 local terms energy: -51.359721 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -7.385 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: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -181.995245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.995245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.995245 (E_RNA) where: Base-Base interactions energy: -109.722 where: short stacking energy: -58.171 Base-Backbone interact. energy: -0.002 local terms energy: -72.271337 where: bonds (distance) C4'-P energy: -15.520 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -15.482 flat angles P-C4'-P energy: -9.121 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: 2, replica: 7 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -165.953607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.953607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.953607 (E_RNA) where: Base-Base interactions energy: -106.579 where: short stacking energy: -51.000 Base-Backbone interact. energy: -1.006 local terms energy: -58.368020 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -13.341 flat angles C4'-P-C4' energy: -10.760 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -14.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -180.141263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.141263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.141263 (E_RNA) where: Base-Base interactions energy: -111.221 where: short stacking energy: -57.958 Base-Backbone interact. energy: -0.002 local terms energy: -68.917926 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -20.984 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: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -158.415648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.415648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.415648 (E_RNA) where: Base-Base interactions energy: -97.038 where: short stacking energy: -44.908 Base-Backbone interact. energy: -0.201 local terms energy: -61.177187 where: bonds (distance) C4'-P energy: -10.380 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -10.898 tors. eta vs tors. theta energy: -12.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -93.204882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.204882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.204882 (E_RNA) where: Base-Base interactions energy: -43.789 where: short stacking energy: -39.641 Base-Backbone interact. energy: -0.046 local terms energy: -49.370654 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -10.254 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -7.581 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: 10 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -93.694344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.694344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.694344 (E_RNA) where: Base-Base interactions energy: -46.004 where: short stacking energy: -33.893 Base-Backbone interact. energy: -0.186 local terms energy: -47.505146 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -11.636 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -10.016 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: 7, replica: 8 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -91.648551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.648551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.648551 (E_RNA) where: Base-Base interactions energy: -38.813 where: short stacking energy: -37.881 Base-Backbone interact. energy: -0.160 local terms energy: -52.675979 where: bonds (distance) C4'-P energy: -14.668 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -11.953 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -81.834890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.834890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.834890 (E_RNA) where: Base-Base interactions energy: -30.848 where: short stacking energy: -30.848 Base-Backbone interact. energy: -0.105 local terms energy: -50.881679 where: bonds (distance) C4'-P energy: -4.056 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -9.864 flat angles P-C4'-P energy: -11.666 tors. eta vs tors. theta energy: -11.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -72.529899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.529899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.529899 (E_RNA) where: Base-Base interactions energy: -30.047 where: short stacking energy: -30.047 Base-Backbone interact. energy: -0.095 local terms energy: -42.388356 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -13.686 flat angles C4'-P-C4' energy: -10.572 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -5.284 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: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -81.818127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.818127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.818127 (E_RNA) where: Base-Base interactions energy: -38.819 where: short stacking energy: -25.217 Base-Backbone interact. energy: 0.181 local terms energy: -43.180041 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -8.543 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -191.287795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.287795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.287795 (E_RNA) where: Base-Base interactions energy: -126.411 where: short stacking energy: -59.219 Base-Backbone interact. energy: -0.106 local terms energy: -64.771255 where: bonds (distance) C4'-P energy: -12.548 bonds (distance) P-C4' energy: -14.906 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -15.628 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: 7 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -164.091950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.091950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.091950 (E_RNA) where: Base-Base interactions energy: -99.878 where: short stacking energy: -53.380 Base-Backbone interact. energy: -0.075 local terms energy: -64.139739 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -16.460 flat angles C4'-P-C4' energy: -14.652 flat angles P-C4'-P energy: -8.382 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: 3, replica: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -180.074954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.074954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.074954 (E_RNA) where: Base-Base interactions energy: -116.385 where: short stacking energy: -55.538 Base-Backbone interact. energy: -0.701 local terms energy: -62.988772 where: bonds (distance) C4'-P energy: -13.641 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -11.034 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -13.049 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: 4, replica: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -165.319210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.319210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.319210 (E_RNA) where: Base-Base interactions energy: -99.230 where: short stacking energy: -46.486 Base-Backbone interact. energy: 0.073 local terms energy: -66.161762 where: bonds (distance) C4'-P energy: -15.198 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -16.637 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -10.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -125.438895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.438895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.438895 (E_RNA) where: Base-Base interactions energy: -61.817 where: short stacking energy: -40.303 Base-Backbone interact. energy: -0.101 local terms energy: -63.521410 where: bonds (distance) C4'-P energy: -13.769 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -13.940 flat angles P-C4'-P energy: -9.786 tors. eta vs tors. theta energy: -9.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -93.655720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.655720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.655720 (E_RNA) where: Base-Base interactions energy: -44.673 where: short stacking energy: -39.407 Base-Backbone interact. energy: -0.073 local terms energy: -48.909641 where: bonds (distance) C4'-P energy: -13.602 bonds (distance) P-C4' energy: -10.749 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -8.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -74.190717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.190717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.190717 (E_RNA) where: Base-Base interactions energy: -24.524 where: short stacking energy: -23.285 Base-Backbone interact. energy: -0.124 local terms energy: -49.542586 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -10.246 flat angles C4'-P-C4' energy: -12.386 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -5.222 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: 8, replica: 2 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -84.785782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.785782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.785782 (E_RNA) where: Base-Base interactions energy: -34.252 where: short stacking energy: -34.252 Base-Backbone interact. energy: -0.357 local terms energy: -50.177605 where: bonds (distance) C4'-P energy: -10.134 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -12.371 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -6.743 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: 4 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -64.052973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.052973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.052973 (E_RNA) where: Base-Base interactions energy: -21.522 where: short stacking energy: -18.734 Base-Backbone interact. energy: 1.165 local terms energy: -43.696246 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -12.734 flat angles C4'-P-C4' energy: -12.254 flat angles P-C4'-P energy: -0.916 tors. eta vs tors. theta energy: -5.552 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: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -69.491496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.491496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.491496 (E_RNA) where: Base-Base interactions energy: -32.979 where: short stacking energy: -25.902 Base-Backbone interact. energy: -0.013 local terms energy: -36.499382 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -9.021 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -183.856862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.856862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.856862 (E_RNA) where: Base-Base interactions energy: -110.677 where: short stacking energy: -53.146 Base-Backbone interact. energy: -0.019 local terms energy: -73.161428 where: bonds (distance) C4'-P energy: -14.490 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -15.825 flat angles P-C4'-P energy: -10.583 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: 2, replica: 7 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -179.117138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.117138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.117138 (E_RNA) where: Base-Base interactions energy: -105.737 where: short stacking energy: -63.139 Base-Backbone interact. energy: 0.169 local terms energy: -73.549719 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -12.861 flat angles P-C4'-P energy: -13.045 tors. eta vs tors. theta energy: -16.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -171.474925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.474925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.474925 (E_RNA) where: Base-Base interactions energy: -109.198 where: short stacking energy: -54.051 Base-Backbone interact. energy: -0.124 local terms energy: -62.152767 where: bonds (distance) C4'-P energy: -14.860 bonds (distance) P-C4' energy: -14.696 flat angles C4'-P-C4' energy: -10.286 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -13.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -153.794944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.794944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.794944 (E_RNA) where: Base-Base interactions energy: -96.584 where: short stacking energy: -49.192 Base-Backbone interact. energy: -0.334 local terms energy: -56.877497 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -13.543 flat angles C4'-P-C4' energy: -10.079 flat angles P-C4'-P energy: -9.287 tors. eta vs tors. theta energy: -10.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -89.626844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.626844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.626844 (E_RNA) where: Base-Base interactions energy: -44.453 where: short stacking energy: -37.112 Base-Backbone interact. energy: -0.146 local terms energy: -45.027253 where: bonds (distance) C4'-P energy: -9.249 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -9.057 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -7.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -80.368718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.368718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.368718 (E_RNA) where: Base-Base interactions energy: -30.420 where: short stacking energy: -28.837 Base-Backbone interact. energy: -0.023 local terms energy: -49.925621 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -11.113 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -7.770 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: 10 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -85.027821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.027821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.027821 (E_RNA) where: Base-Base interactions energy: -32.844 where: short stacking energy: -31.889 Base-Backbone interact. energy: -0.114 local terms energy: -52.070333 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -7.038 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -86.453476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.453476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.453476 (E_RNA) where: Base-Base interactions energy: -30.508 where: short stacking energy: -28.849 Base-Backbone interact. energy: 0.801 local terms energy: -56.746771 where: bonds (distance) C4'-P energy: -16.299 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -11.094 flat angles P-C4'-P energy: -10.749 tors. eta vs tors. theta energy: -5.252 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: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -79.756450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.756450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.756450 (E_RNA) where: Base-Base interactions energy: -39.669 where: short stacking energy: -26.501 Base-Backbone interact. energy: -0.216 local terms energy: -39.870927 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -1.401 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: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -70.979638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.979638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.979638 (E_RNA) where: Base-Base interactions energy: -28.271 where: short stacking energy: -21.004 Base-Backbone interact. energy: 0.054 local terms energy: -42.762393 where: bonds (distance) C4'-P energy: -12.925 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -10.832 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -187.295597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.295597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.295597 (E_RNA) where: Base-Base interactions energy: -121.114 where: short stacking energy: -57.966 Base-Backbone interact. energy: -0.456 local terms energy: -65.726343 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -13.332 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -10.966 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: 2, replica: 7 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -176.637324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.637324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.637324 (E_RNA) where: Base-Base interactions energy: -108.259 where: short stacking energy: -61.766 Base-Backbone interact. energy: -0.630 local terms energy: -67.748095 where: bonds (distance) C4'-P energy: -13.332 bonds (distance) P-C4' energy: -15.033 flat angles C4'-P-C4' energy: -13.371 flat angles P-C4'-P energy: -7.837 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: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -170.710113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.710113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.710113 (E_RNA) where: Base-Base interactions energy: -106.733 where: short stacking energy: -57.174 Base-Backbone interact. energy: -0.022 local terms energy: -63.956040 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -15.404 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -15.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -149.320214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.320214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.320214 (E_RNA) where: Base-Base interactions energy: -92.292 where: short stacking energy: -31.867 Base-Backbone interact. energy: -0.848 local terms energy: -56.180851 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -14.280 flat angles P-C4'-P energy: -3.512 tors. eta vs tors. theta energy: -10.435 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: 8 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -100.732911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.732911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.732911 (E_RNA) where: Base-Base interactions energy: -55.839 where: short stacking energy: -42.606 Base-Backbone interact. energy: 0.969 local terms energy: -45.863207 where: bonds (distance) C4'-P energy: -11.871 bonds (distance) P-C4' energy: -13.052 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -6.604 tors. eta vs tors. theta energy: -8.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -113.702544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.702544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.702544 (E_RNA) where: Base-Base interactions energy: -67.217 where: short stacking energy: -27.024 Base-Backbone interact. energy: -0.589 local terms energy: -45.895895 where: bonds (distance) C4'-P energy: -10.420 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -77.351929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.351929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.351929 (E_RNA) where: Base-Base interactions energy: -37.612 where: short stacking energy: -28.669 Base-Backbone interact. energy: -1.101 local terms energy: -38.638983 where: bonds (distance) C4'-P energy: -12.043 bonds (distance) P-C4' energy: -11.154 flat angles C4'-P-C4' energy: -9.373 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -91.751302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.751302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.751302 (E_RNA) where: Base-Base interactions energy: -40.618 where: short stacking energy: -40.618 Base-Backbone interact. energy: -0.086 local terms energy: -51.046993 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -11.876 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -7.513 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: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -75.958319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.958319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.958319 (E_RNA) where: Base-Base interactions energy: -27.264 where: short stacking energy: -27.264 Base-Backbone interact. energy: -0.019 local terms energy: -48.676005 where: bonds (distance) C4'-P energy: -11.327 bonds (distance) P-C4' energy: -13.820 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -8.363 tors. eta vs tors. theta energy: -8.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -78.643543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.643543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.643543 (E_RNA) where: Base-Base interactions energy: -38.560 where: short stacking energy: -23.868 Base-Backbone interact. energy: 0.209 local terms energy: -40.292595 where: bonds (distance) C4'-P energy: -11.008 bonds (distance) P-C4' energy: -10.021 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -7.492 tors. eta vs tors. theta energy: -3.487 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: 1, replica: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -185.249765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.249765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.249765 (E_RNA) where: Base-Base interactions energy: -117.128 where: short stacking energy: -52.781 Base-Backbone interact. energy: -0.542 local terms energy: -67.579682 where: bonds (distance) C4'-P energy: -15.857 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -12.871 tors. eta vs tors. theta energy: -13.810 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: 6 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -162.445124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.445124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.445124 (E_RNA) where: Base-Base interactions energy: -100.799 where: short stacking energy: -32.508 Base-Backbone interact. energy: -0.883 local terms energy: -60.763170 where: bonds (distance) C4'-P energy: -16.035 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -8.962 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -11.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -171.806070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.806070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.806070 (E_RNA) where: Base-Base interactions energy: -110.856 where: short stacking energy: -43.408 Base-Backbone interact. energy: -0.648 local terms energy: -60.301453 where: bonds (distance) C4'-P energy: -15.136 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -13.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -164.924213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.924213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.924213 (E_RNA) where: Base-Base interactions energy: -105.632 where: short stacking energy: -54.208 Base-Backbone interact. energy: -0.675 local terms energy: -58.617312 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -4.112 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: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -93.446830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.446830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.446830 (E_RNA) where: Base-Base interactions energy: -45.755 where: short stacking energy: -28.674 Base-Backbone interact. energy: -1.811 local terms energy: -45.880536 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -11.199 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -3.454 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: 4 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -82.380085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.380085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.380085 (E_RNA) where: Base-Base interactions energy: -32.885 where: short stacking energy: -32.885 Base-Backbone interact. energy: -0.049 local terms energy: -49.446449 where: bonds (distance) C4'-P energy: -7.535 bonds (distance) P-C4' energy: -12.534 flat angles C4'-P-C4' energy: -11.497 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -7.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -75.869984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.869984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.869984 (E_RNA) where: Base-Base interactions energy: -25.955 where: short stacking energy: -25.955 Base-Backbone interact. energy: -0.205 local terms energy: -49.710237 where: bonds (distance) C4'-P energy: -13.878 bonds (distance) P-C4' energy: -12.067 flat angles C4'-P-C4' energy: -11.348 flat angles P-C4'-P energy: -11.856 tors. eta vs tors. theta energy: -0.562 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: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -72.662794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.662794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.662794 (E_RNA) where: Base-Base interactions energy: -25.596 where: short stacking energy: -25.596 Base-Backbone interact. energy: -0.157 local terms energy: -46.909204 where: bonds (distance) C4'-P energy: -10.562 bonds (distance) P-C4' energy: -14.657 flat angles C4'-P-C4' energy: -10.964 flat angles P-C4'-P energy: -8.612 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: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -78.542206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.542206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.542206 (E_RNA) where: Base-Base interactions energy: -32.496 where: short stacking energy: -32.496 Base-Backbone interact. energy: -0.074 local terms energy: -45.971985 where: bonds (distance) C4'-P energy: -8.707 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -10.178 flat angles P-C4'-P energy: -7.155 tors. eta vs tors. theta energy: -5.093 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: 2 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -65.216627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.216627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.216627 (E_RNA) where: Base-Base interactions energy: -25.312 where: short stacking energy: -15.824 Base-Backbone interact. energy: -0.054 local terms energy: -39.850554 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -11.529 flat angles C4'-P-C4' energy: -9.125 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: 0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -183.243447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.243447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.243447 (E_RNA) where: Base-Base interactions energy: -124.649 where: short stacking energy: -53.378 Base-Backbone interact. energy: -0.751 local terms energy: -57.842909 where: bonds (distance) C4'-P energy: -9.250 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -4.458 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: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -173.871689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.871689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.871689 (E_RNA) where: Base-Base interactions energy: -112.172 where: short stacking energy: -46.096 Base-Backbone interact. energy: -0.838 local terms energy: -60.861524 where: bonds (distance) C4'-P energy: -14.550 bonds (distance) P-C4' energy: -16.406 flat angles C4'-P-C4' energy: -12.781 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -7.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -173.774669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.774669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.774669 (E_RNA) where: Base-Base interactions energy: -101.821 where: short stacking energy: -54.194 Base-Backbone interact. energy: -0.002 local terms energy: -71.951496 where: bonds (distance) C4'-P energy: -13.887 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -12.438 tors. eta vs tors. theta energy: -14.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -165.081462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.081462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.081462 (E_RNA) where: Base-Base interactions energy: -107.818 where: short stacking energy: -53.428 Base-Backbone interact. energy: -0.072 local terms energy: -57.191493 where: bonds (distance) C4'-P energy: -11.373 bonds (distance) P-C4' energy: -10.687 flat angles C4'-P-C4' energy: -13.295 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -14.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -108.002723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.002723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.002723 (E_RNA) where: Base-Base interactions energy: -56.672 where: short stacking energy: -37.447 Base-Backbone interact. energy: -0.081 local terms energy: -51.249977 where: bonds (distance) C4'-P energy: -14.694 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -10.400 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -6.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -90.456139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.456139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.456139 (E_RNA) where: Base-Base interactions energy: -42.067 where: short stacking energy: -28.838 Base-Backbone interact. energy: -0.259 local terms energy: -48.129932 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -12.965 flat angles C4'-P-C4' energy: -9.707 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -3.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -78.535213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.535213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.535213 (E_RNA) where: Base-Base interactions energy: -29.735 where: short stacking energy: -27.670 Base-Backbone interact. energy: -0.554 local terms energy: -48.245901 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -12.812 flat angles P-C4'-P energy: -4.270 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: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -78.034496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.034496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.034496 (E_RNA) where: Base-Base interactions energy: -35.912 where: short stacking energy: -25.980 Base-Backbone interact. energy: -0.285 local terms energy: -41.837627 where: bonds (distance) C4'-P energy: -10.462 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -13.834 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -2.297 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: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -71.457458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.457458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.457458 (E_RNA) where: Base-Base interactions energy: -25.362 where: short stacking energy: -25.362 Base-Backbone interact. energy: 0.294 local terms energy: -46.388943 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -10.002 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -8.080 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: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -67.831641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.831641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.831641 (E_RNA) where: Base-Base interactions energy: -25.546 where: short stacking energy: -10.247 Base-Backbone interact. energy: -0.052 local terms energy: -42.233641 where: bonds (distance) C4'-P energy: -10.226 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: 0.063 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: 1, replica: 6 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -175.829788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.829788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.829788 (E_RNA) where: Base-Base interactions energy: -120.480 where: short stacking energy: -38.516 Base-Backbone interact. energy: -0.291 local terms energy: -55.058470 where: bonds (distance) C4'-P energy: -12.881 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -14.957 flat angles P-C4'-P energy: -4.715 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: 2, replica: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -165.686911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.686911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.686911 (E_RNA) where: Base-Base interactions energy: -103.166 where: short stacking energy: -53.015 Base-Backbone interact. energy: 0.322 local terms energy: -62.842356 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -14.283 flat angles P-C4'-P energy: -7.285 tors. eta vs tors. theta energy: -13.996 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: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -169.172092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.172092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.172092 (E_RNA) where: Base-Base interactions energy: -97.123 where: short stacking energy: -50.623 Base-Backbone interact. energy: -0.056 local terms energy: -71.993308 where: bonds (distance) C4'-P energy: -15.455 bonds (distance) P-C4' energy: -17.133 flat angles C4'-P-C4' energy: -13.473 flat angles P-C4'-P energy: -12.201 tors. eta vs tors. theta energy: -13.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -164.876735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.876735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.876735 (E_RNA) where: Base-Base interactions energy: -101.308 where: short stacking energy: -54.171 Base-Backbone interact. energy: -0.055 local terms energy: -63.513500 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -11.968 flat angles P-C4'-P energy: -11.938 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: 5, replica: 4 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -122.098463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.098463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.098463 (E_RNA) where: Base-Base interactions energy: -65.026 where: short stacking energy: -40.310 Base-Backbone interact. energy: 0.208 local terms energy: -57.280793 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -9.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -90.305320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.305320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.305320 (E_RNA) where: Base-Base interactions energy: -39.274 where: short stacking energy: -35.647 Base-Backbone interact. energy: -1.252 local terms energy: -49.779349 where: bonds (distance) C4'-P energy: -12.780 bonds (distance) P-C4' energy: -10.070 flat angles C4'-P-C4' energy: -12.966 flat angles P-C4'-P energy: -6.564 tors. eta vs tors. theta energy: -7.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -100.179544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.179544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.179544 (E_RNA) where: Base-Base interactions energy: -48.512 where: short stacking energy: -21.423 Base-Backbone interact. energy: -0.699 local terms energy: -50.968111 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -9.374 flat angles P-C4'-P energy: -8.342 tors. eta vs tors. theta energy: -6.502 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: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -84.673260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.673260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.673260 (E_RNA) where: Base-Base interactions energy: -29.050 where: short stacking energy: -21.313 Base-Backbone interact. energy: -0.849 local terms energy: -54.774604 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -13.997 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -7.559 tors. eta vs tors. theta energy: -5.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -70.216581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.216581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.216581 (E_RNA) where: Base-Base interactions energy: -25.354 where: short stacking energy: -22.493 Base-Backbone interact. energy: -0.059 local terms energy: -44.803801 where: bonds (distance) C4'-P energy: -13.673 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -11.388 flat angles P-C4'-P energy: -9.127 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: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -73.405960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.405960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.405960 (E_RNA) where: Base-Base interactions energy: -37.369 where: short stacking energy: -22.702 Base-Backbone interact. energy: -0.655 local terms energy: -35.382438 where: bonds (distance) C4'-P energy: -10.148 bonds (distance) P-C4' energy: -9.319 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -7.382 tors. eta vs tors. theta energy: -2.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -189.905396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.905396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.905396 (E_RNA) where: Base-Base interactions energy: -125.146 where: short stacking energy: -51.286 Base-Backbone interact. energy: -0.185 local terms energy: -64.574969 where: bonds (distance) C4'-P energy: -14.118 bonds (distance) P-C4' energy: -14.288 flat angles C4'-P-C4' energy: -16.306 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -12.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -153.861620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.861620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.861620 (E_RNA) where: Base-Base interactions energy: -91.298 where: short stacking energy: -46.558 Base-Backbone interact. energy: -0.203 local terms energy: -62.360153 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -13.774 flat angles P-C4'-P energy: -6.514 tors. eta vs tors. theta energy: -13.224 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: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -170.427999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.427999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.427999 (E_RNA) where: Base-Base interactions energy: -106.036 where: short stacking energy: -58.477 Base-Backbone interact. energy: -0.351 local terms energy: -64.040877 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -11.732 flat angles C4'-P-C4' energy: -13.786 flat angles P-C4'-P energy: -10.669 tors. eta vs tors. theta energy: -17.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -152.051393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.051393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.051393 (E_RNA) where: Base-Base interactions energy: -92.455 where: short stacking energy: -51.596 Base-Backbone interact. energy: -0.649 local terms energy: -58.947429 where: bonds (distance) C4'-P energy: -3.838 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -14.572 flat angles P-C4'-P energy: -11.452 tors. eta vs tors. theta energy: -14.584 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: 9 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -97.269636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.269636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.269636 (E_RNA) where: Base-Base interactions energy: -48.904 where: short stacking energy: -34.941 Base-Backbone interact. energy: 0.852 local terms energy: -49.217971 where: bonds (distance) C4'-P energy: -15.637 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -5.839 tors. eta vs tors. theta energy: -1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -88.598575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.598575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.598575 (E_RNA) where: Base-Base interactions energy: -39.588 where: short stacking energy: -19.322 Base-Backbone interact. energy: -0.356 local terms energy: -48.654078 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -10.471 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -7.673 tors. eta vs tors. theta energy: -4.028 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: 106 Temperature: 1.200000 Total energy: -97.687789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.687789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.687789 (E_RNA) where: Base-Base interactions energy: -45.313 where: short stacking energy: -21.348 Base-Backbone interact. energy: -0.314 local terms energy: -52.060449 where: bonds (distance) C4'-P energy: -13.907 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -11.505 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -4.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -117.304560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.304560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.304560 (E_RNA) where: Base-Base interactions energy: -66.672 where: short stacking energy: -34.336 Base-Backbone interact. energy: -0.523 local terms energy: -50.109492 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -5.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -73.980531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.980531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.980531 (E_RNA) where: Base-Base interactions energy: -38.314 where: short stacking energy: -21.466 Base-Backbone interact. energy: -0.684 local terms energy: -34.982015 where: bonds (distance) C4'-P energy: -10.794 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -0.728 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -67.414088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.414088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.414088 (E_RNA) where: Base-Base interactions energy: -27.495 where: short stacking energy: -19.590 Base-Backbone interact. energy: 0.302 local terms energy: -40.220467 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -10.122 flat angles C4'-P-C4' energy: -10.948 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: 2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -184.082464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.082464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.082464 (E_RNA) where: Base-Base interactions energy: -120.334 where: short stacking energy: -47.782 Base-Backbone interact. energy: -0.225 local terms energy: -63.523690 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -14.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -177.004013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.004013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.004013 (E_RNA) where: Base-Base interactions energy: -110.798 where: short stacking energy: -58.086 Base-Backbone interact. energy: -0.003 local terms energy: -66.202985 where: bonds (distance) C4'-P energy: -13.616 bonds (distance) P-C4' energy: -10.788 flat angles C4'-P-C4' energy: -14.418 flat angles P-C4'-P energy: -10.662 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: 3, replica: 1 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -173.815382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.815382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.815382 (E_RNA) where: Base-Base interactions energy: -110.621 where: short stacking energy: -54.228 Base-Backbone interact. energy: -0.005 local terms energy: -63.189911 where: bonds (distance) C4'-P energy: -14.933 bonds (distance) P-C4' energy: -11.642 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -9.370 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: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -159.904504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.904504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.904504 (E_RNA) where: Base-Base interactions energy: -94.264 where: short stacking energy: -49.482 Base-Backbone interact. energy: -0.689 local terms energy: -64.951260 where: bonds (distance) C4'-P energy: -15.484 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -11.724 flat angles P-C4'-P energy: -10.220 tors. eta vs tors. theta energy: -15.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -94.893479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.893479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.893479 (E_RNA) where: Base-Base interactions energy: -46.126 where: short stacking energy: -30.073 Base-Backbone interact. energy: -0.176 local terms energy: -48.591436 where: bonds (distance) C4'-P energy: -11.030 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -4.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -84.911143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.911143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.911143 (E_RNA) where: Base-Base interactions energy: -36.794 where: short stacking energy: -34.965 Base-Backbone interact. energy: -0.752 local terms energy: -47.364549 where: bonds (distance) C4'-P energy: -10.492 bonds (distance) P-C4' energy: -9.107 flat angles C4'-P-C4' energy: -11.375 flat angles P-C4'-P energy: -8.529 tors. eta vs tors. theta energy: -7.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -92.426409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.426409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.426409 (E_RNA) where: Base-Base interactions energy: -33.234 where: short stacking energy: -33.157 Base-Backbone interact. energy: -0.151 local terms energy: -59.041692 where: bonds (distance) C4'-P energy: -10.055 bonds (distance) P-C4' energy: -15.614 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -11.812 tors. eta vs tors. theta energy: -9.021 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: 10 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -84.621613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.621613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.621613 (E_RNA) where: Base-Base interactions energy: -37.191 where: short stacking energy: -21.526 Base-Backbone interact. energy: -0.056 local terms energy: -47.374255 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -11.865 flat angles C4'-P-C4' energy: -8.887 flat angles P-C4'-P energy: -8.488 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: 9, replica: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -80.573886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.573886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.573886 (E_RNA) where: Base-Base interactions energy: -37.199 where: short stacking energy: -28.509 Base-Backbone interact. energy: -0.015 local terms energy: -43.360461 where: bonds (distance) C4'-P energy: -9.356 bonds (distance) P-C4' energy: -10.570 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -3.481 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: 2 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -74.695905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.695905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.695905 (E_RNA) where: Base-Base interactions energy: -26.763 where: short stacking energy: -21.579 Base-Backbone interact. energy: -0.298 local terms energy: -47.634434 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -11.651 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -6.654 tors. eta vs tors. theta energy: -3.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -174.484280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.484280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.484280 (E_RNA) where: Base-Base interactions energy: -107.134 where: short stacking energy: -51.480 Base-Backbone interact. energy: -0.575 local terms energy: -66.774974 where: bonds (distance) C4'-P energy: -15.384 bonds (distance) P-C4' energy: -11.792 flat angles C4'-P-C4' energy: -14.464 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -15.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -175.010933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.010933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.010933 (E_RNA) where: Base-Base interactions energy: -108.547 where: short stacking energy: -51.450 Base-Backbone interact. energy: -0.843 local terms energy: -65.621243 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -15.392 flat angles P-C4'-P energy: -10.088 tors. eta vs tors. theta energy: -11.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -169.913905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.913905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.913905 (E_RNA) where: Base-Base interactions energy: -109.815 where: short stacking energy: -57.608 Base-Backbone interact. energy: -0.026 local terms energy: -60.072560 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -8.768 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -7.237 tors. eta vs tors. theta energy: -15.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -148.631687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.631687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.631687 (E_RNA) where: Base-Base interactions energy: -101.889 where: short stacking energy: -37.499 Base-Backbone interact. energy: -0.548 local terms energy: -46.194880 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -13.307 flat angles C4'-P-C4' energy: -12.956 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -8.965 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: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -85.671051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.671051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.671051 (E_RNA) where: Base-Base interactions energy: -30.404 where: short stacking energy: -30.404 Base-Backbone interact. energy: -0.628 local terms energy: -54.638743 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -11.609 flat angles P-C4'-P energy: -11.420 tors. eta vs tors. theta energy: -3.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -87.357057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.357057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.357057 (E_RNA) where: Base-Base interactions energy: -35.620 where: short stacking energy: -24.157 Base-Backbone interact. energy: 0.031 local terms energy: -51.768518 where: bonds (distance) C4'-P energy: -14.612 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -10.588 flat angles P-C4'-P energy: -12.026 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -87.870644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.870644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.870644 (E_RNA) where: Base-Base interactions energy: -40.762 where: short stacking energy: -34.406 Base-Backbone interact. energy: -0.080 local terms energy: -47.028690 where: bonds (distance) C4'-P energy: -9.800 bonds (distance) P-C4' energy: -10.957 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -8.191 tors. eta vs tors. theta energy: -6.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -122.893097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.893097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.893097 (E_RNA) where: Base-Base interactions energy: -70.127 where: short stacking energy: -39.745 Base-Backbone interact. energy: -0.096 local terms energy: -52.670301 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -12.412 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -7.411 tors. eta vs tors. theta energy: -6.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -70.060589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.060589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.060589 (E_RNA) where: Base-Base interactions energy: -28.413 where: short stacking energy: -28.413 Base-Backbone interact. energy: -0.233 local terms energy: -41.414573 where: bonds (distance) C4'-P energy: -10.210 bonds (distance) P-C4' energy: -14.516 flat angles C4'-P-C4' energy: -9.544 flat angles P-C4'-P energy: -2.475 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: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -82.700817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.700817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.700817 (E_RNA) where: Base-Base interactions energy: -35.898 where: short stacking energy: -28.105 Base-Backbone interact. energy: -0.066 local terms energy: -46.736252 where: bonds (distance) C4'-P energy: -8.926 bonds (distance) P-C4' energy: -8.871 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -9.110 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: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -177.959088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.959088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.959088 (E_RNA) where: Base-Base interactions energy: -117.793 where: short stacking energy: -52.994 Base-Backbone interact. energy: -0.029 local terms energy: -60.137360 where: bonds (distance) C4'-P energy: -15.004 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -14.677 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -12.740 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: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -178.058839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.058839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.058839 (E_RNA) where: Base-Base interactions energy: -105.495 where: short stacking energy: -60.848 Base-Backbone interact. energy: -0.850 local terms energy: -71.713734 where: bonds (distance) C4'-P energy: -11.005 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -13.553 flat angles P-C4'-P energy: -11.778 tors. eta vs tors. theta energy: -19.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -175.896179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.896179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.896179 (E_RNA) where: Base-Base interactions energy: -108.371 where: short stacking energy: -54.970 Base-Backbone interact. energy: -0.508 local terms energy: -67.017456 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -15.675 flat angles C4'-P-C4' energy: -11.787 flat angles P-C4'-P energy: -9.021 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: 4, replica: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -162.366107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.366107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.366107 (E_RNA) where: Base-Base interactions energy: -98.344 where: short stacking energy: -45.669 Base-Backbone interact. energy: -0.544 local terms energy: -63.478576 where: bonds (distance) C4'-P energy: -13.513 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -11.775 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -14.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -93.659011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.659011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.659011 (E_RNA) where: Base-Base interactions energy: -55.829 where: short stacking energy: -28.298 Base-Backbone interact. energy: 0.030 local terms energy: -37.860579 where: bonds (distance) C4'-P energy: -8.519 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -0.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -89.561400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.561400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.561400 (E_RNA) where: Base-Base interactions energy: -39.339 where: short stacking energy: -38.119 Base-Backbone interact. energy: -0.013 local terms energy: -50.209073 where: bonds (distance) C4'-P energy: -8.867 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -5.309 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: 9 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -100.438658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.438658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.438658 (E_RNA) where: Base-Base interactions energy: -44.230 where: short stacking energy: -27.621 Base-Backbone interact. energy: -0.276 local terms energy: -55.931904 where: bonds (distance) C4'-P energy: -12.382 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -12.941 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -7.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -88.263074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.263074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.263074 (E_RNA) where: Base-Base interactions energy: -43.440 where: short stacking energy: -16.754 Base-Backbone interact. energy: -0.061 local terms energy: -44.762588 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -12.153 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -7.517 tors. eta vs tors. theta energy: -0.213 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: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -79.921747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.921747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.921747 (E_RNA) where: Base-Base interactions energy: -33.946 where: short stacking energy: -25.338 Base-Backbone interact. energy: -0.409 local terms energy: -45.566797 where: bonds (distance) C4'-P energy: -15.625 bonds (distance) P-C4' energy: -12.123 flat angles C4'-P-C4' energy: -12.766 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -67.553989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.553989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.553989 (E_RNA) where: Base-Base interactions energy: -30.769 where: short stacking energy: -16.824 Base-Backbone interact. energy: -0.993 local terms energy: -35.792229 where: bonds (distance) C4'-P energy: -14.572 bonds (distance) P-C4' energy: -10.002 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: 0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -185.493330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.493330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.493330 (E_RNA) where: Base-Base interactions energy: -119.654 where: short stacking energy: -57.798 Base-Backbone interact. energy: -0.959 local terms energy: -64.880012 where: bonds (distance) C4'-P energy: -14.975 bonds (distance) P-C4' energy: -9.724 flat angles C4'-P-C4' energy: -14.634 flat angles P-C4'-P energy: -8.687 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: 2, replica: 3 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -170.989016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.989016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.989016 (E_RNA) where: Base-Base interactions energy: -107.617 where: short stacking energy: -52.997 Base-Backbone interact. energy: -1.227 local terms energy: -62.144524 where: bonds (distance) C4'-P energy: -11.712 bonds (distance) P-C4' energy: -14.738 flat angles C4'-P-C4' energy: -10.081 flat angles P-C4'-P energy: -8.395 tors. eta vs tors. theta energy: -17.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -162.611273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.611273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.611273 (E_RNA) where: Base-Base interactions energy: -101.425 where: short stacking energy: -56.207 Base-Backbone interact. energy: -0.083 local terms energy: -61.102489 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -13.918 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -13.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -163.370447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.370447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.370447 (E_RNA) where: Base-Base interactions energy: -99.950 where: short stacking energy: -46.563 Base-Backbone interact. energy: 2.209 local terms energy: -65.629390 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -13.208 flat angles C4'-P-C4' energy: -13.758 flat angles P-C4'-P energy: -8.508 tors. eta vs tors. theta energy: -16.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -93.079306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.079306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.079306 (E_RNA) where: Base-Base interactions energy: -41.664 where: short stacking energy: -37.743 Base-Backbone interact. energy: -0.291 local terms energy: -51.123900 where: bonds (distance) C4'-P energy: -10.893 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -11.272 flat angles P-C4'-P energy: -12.051 tors. eta vs tors. theta energy: -7.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -86.603569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.603569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.603569 (E_RNA) where: Base-Base interactions energy: -30.503 where: short stacking energy: -28.405 Base-Backbone interact. energy: -0.144 local terms energy: -55.956836 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -12.720 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -6.055 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: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -102.601788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.601788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.601788 (E_RNA) where: Base-Base interactions energy: -51.833 where: short stacking energy: -24.246 Base-Backbone interact. energy: -0.088 local terms energy: -50.680000 where: bonds (distance) C4'-P energy: -10.759 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -10.302 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -102.338181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.338181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.338181 (E_RNA) where: Base-Base interactions energy: -61.965 where: short stacking energy: -31.406 Base-Backbone interact. energy: -0.183 local terms energy: -40.189597 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -16.671 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -7.031 tors. eta vs tors. theta energy: 0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -65.774481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.774481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.774481 (E_RNA) where: Base-Base interactions energy: -15.745 where: short stacking energy: -15.529 Base-Backbone interact. energy: 0.028 local terms energy: -50.057887 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -15.513 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -1.358 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: 2 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -70.675091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.675091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.675091 (E_RNA) where: Base-Base interactions energy: -21.590 where: short stacking energy: -21.590 Base-Backbone interact. energy: -0.067 local terms energy: -49.018166 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -11.058 flat angles P-C4'-P energy: -10.621 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: 1, replica: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -183.862791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.862791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.862791 (E_RNA) where: Base-Base interactions energy: -104.763 where: short stacking energy: -54.139 Base-Backbone interact. energy: -0.632 local terms energy: -78.467969 where: bonds (distance) C4'-P energy: -15.475 bonds (distance) P-C4' energy: -16.340 flat angles C4'-P-C4' energy: -16.775 flat angles P-C4'-P energy: -12.376 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: 2, replica: 3 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -168.852796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.852796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.852796 (E_RNA) where: Base-Base interactions energy: -103.875 where: short stacking energy: -57.528 Base-Backbone interact. energy: -0.104 local terms energy: -64.873616 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -15.067 flat angles C4'-P-C4' energy: -13.841 flat angles P-C4'-P energy: -12.282 tors. eta vs tors. theta energy: -12.482 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: 7 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -161.821118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.821118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.821118 (E_RNA) where: Base-Base interactions energy: -96.694 where: short stacking energy: -54.628 Base-Backbone interact. energy: -0.566 local terms energy: -64.560839 where: bonds (distance) C4'-P energy: -13.630 bonds (distance) P-C4' energy: -13.604 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -16.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -173.594025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.594025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.594025 (E_RNA) where: Base-Base interactions energy: -106.605 where: short stacking energy: -64.165 Base-Backbone interact. energy: -0.559 local terms energy: -66.429987 where: bonds (distance) C4'-P energy: -12.293 bonds (distance) P-C4' energy: -11.998 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -19.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -88.932261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.932261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.932261 (E_RNA) where: Base-Base interactions energy: -38.313 where: short stacking energy: -38.313 Base-Backbone interact. energy: -0.186 local terms energy: -50.433142 where: bonds (distance) C4'-P energy: -11.741 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -9.002 tors. eta vs tors. theta energy: -5.404 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: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -93.585411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.585411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.585411 (E_RNA) where: Base-Base interactions energy: -51.404 where: short stacking energy: -27.953 Base-Backbone interact. energy: -0.032 local terms energy: -42.148493 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -8.259 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -78.321118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.321118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.321118 (E_RNA) where: Base-Base interactions energy: -23.950 where: short stacking energy: -23.950 Base-Backbone interact. energy: -0.008 local terms energy: -54.363174 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -14.862 flat angles C4'-P-C4' energy: -8.862 flat angles P-C4'-P energy: -7.148 tors. eta vs tors. theta energy: -9.453 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: 8, replica: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -81.897778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.897778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.897778 (E_RNA) where: Base-Base interactions energy: -40.596 where: short stacking energy: -19.975 Base-Backbone interact. energy: 0.140 local terms energy: -41.442326 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -8.410 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -86.002525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.002525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.002525 (E_RNA) where: Base-Base interactions energy: -34.641 where: short stacking energy: -22.161 Base-Backbone interact. energy: -0.063 local terms energy: -51.298580 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -10.033 flat angles P-C4'-P energy: -8.426 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: 10, replica: 2 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -71.563260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.563260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.563260 (E_RNA) where: Base-Base interactions energy: -22.884 where: short stacking energy: -16.544 Base-Backbone interact. energy: -0.629 local terms energy: -48.050109 where: bonds (distance) C4'-P energy: -10.305 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -9.057 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: 1 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -177.375429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.375429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.375429 (E_RNA) where: Base-Base interactions energy: -106.656 where: short stacking energy: -53.542 Base-Backbone interact. energy: -0.712 local terms energy: -70.007650 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -8.612 tors. eta vs tors. theta energy: -16.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -170.131909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.131909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.131909 (E_RNA) where: Base-Base interactions energy: -104.460 where: short stacking energy: -55.546 Base-Backbone interact. energy: -0.849 local terms energy: -64.823590 where: bonds (distance) C4'-P energy: -13.697 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -11.926 tors. eta vs tors. theta energy: -13.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -158.470123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.470123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.470123 (E_RNA) where: Base-Base interactions energy: -96.248 where: short stacking energy: -44.052 Base-Backbone interact. energy: -0.955 local terms energy: -61.267280 where: bonds (distance) C4'-P energy: -13.989 bonds (distance) P-C4' energy: -15.156 flat angles C4'-P-C4' energy: -14.741 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -10.383 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: 7 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -161.865388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.865388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.865388 (E_RNA) where: Base-Base interactions energy: -103.366 where: short stacking energy: -39.031 Base-Backbone interact. energy: -1.345 local terms energy: -57.155247 where: bonds (distance) C4'-P energy: -9.643 bonds (distance) P-C4' energy: -13.047 flat angles C4'-P-C4' energy: -13.109 flat angles P-C4'-P energy: -11.095 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: 5, replica: 10 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -90.662464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.662464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.662464 (E_RNA) where: Base-Base interactions energy: -39.174 where: short stacking energy: -27.631 Base-Backbone interact. energy: -1.816 local terms energy: -49.672821 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -16.834 flat angles C4'-P-C4' energy: -10.644 flat angles P-C4'-P energy: -6.161 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -121.432978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.432978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.432978 (E_RNA) where: Base-Base interactions energy: -65.446 where: short stacking energy: -34.404 Base-Backbone interact. energy: -0.022 local terms energy: -55.964437 where: bonds (distance) C4'-P energy: -14.423 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -9.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -80.822651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.822651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.822651 (E_RNA) where: Base-Base interactions energy: -38.563 where: short stacking energy: -25.087 Base-Backbone interact. energy: -1.005 local terms energy: -41.254591 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -9.676 flat angles C4'-P-C4' energy: -10.487 flat angles P-C4'-P energy: -9.083 tors. eta vs tors. theta energy: 0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -97.654918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.654918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.654918 (E_RNA) where: Base-Base interactions energy: -58.388 where: short stacking energy: -23.635 Base-Backbone interact. energy: 0.033 local terms energy: -39.299385 where: bonds (distance) C4'-P energy: -9.986 bonds (distance) P-C4' energy: -8.971 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -8.320 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: 112 Temperature: 1.300000 Total energy: -81.519548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.519548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.519548 (E_RNA) where: Base-Base interactions energy: -29.189 where: short stacking energy: -25.265 Base-Backbone interact. energy: -0.124 local terms energy: -52.206834 where: bonds (distance) C4'-P energy: -11.650 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -12.368 flat angles P-C4'-P energy: -6.644 tors. eta vs tors. theta energy: -6.857 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: 2 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -73.372077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.372077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.372077 (E_RNA) where: Base-Base interactions energy: -23.098 where: short stacking energy: -16.399 Base-Backbone interact. energy: -0.094 local terms energy: -50.180106 where: bonds (distance) C4'-P energy: -12.134 bonds (distance) P-C4' energy: -15.587 flat angles C4'-P-C4' energy: -14.280 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: -0.312 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: 1, replica: 1 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -184.360897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.360897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.360897 (E_RNA) where: Base-Base interactions energy: -112.052 where: short stacking energy: -56.008 Base-Backbone interact. energy: -1.667 local terms energy: -70.642021 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -13.301 flat angles C4'-P-C4' energy: -15.115 flat angles P-C4'-P energy: -10.229 tors. eta vs tors. theta energy: -18.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -172.099816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.099816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.099816 (E_RNA) where: Base-Base interactions energy: -101.110 where: short stacking energy: -49.520 Base-Backbone interact. energy: -0.033 local terms energy: -70.955908 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -16.703 flat angles P-C4'-P energy: -10.610 tors. eta vs tors. theta energy: -14.011 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: 3, replica: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -171.976868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.976868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.976868 (E_RNA) where: Base-Base interactions energy: -111.876 where: short stacking energy: -57.902 Base-Backbone interact. energy: -0.166 local terms energy: -59.934656 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -11.723 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -8.544 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: 4, replica: 7 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -172.908515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.908515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.908515 (E_RNA) where: Base-Base interactions energy: -107.060 where: short stacking energy: -59.392 Base-Backbone interact. energy: -1.767 local terms energy: -64.081429 where: bonds (distance) C4'-P energy: -14.639 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -14.828 flat angles P-C4'-P energy: -6.167 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: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -118.970273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.970273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.970273 (E_RNA) where: Base-Base interactions energy: -60.698 where: short stacking energy: -35.910 Base-Backbone interact. energy: -0.178 local terms energy: -58.094734 where: bonds (distance) C4'-P energy: -9.886 bonds (distance) P-C4' energy: -14.633 flat angles C4'-P-C4' energy: -14.522 flat angles P-C4'-P energy: -11.967 tors. eta vs tors. theta energy: -7.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -126.985855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.985855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.985855 (E_RNA) where: Base-Base interactions energy: -72.187 where: short stacking energy: -27.040 Base-Backbone interact. energy: -0.800 local terms energy: -53.998596 where: bonds (distance) C4'-P energy: -11.427 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -11.334 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: -6.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -80.053294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.053294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.053294 (E_RNA) where: Base-Base interactions energy: -38.751 where: short stacking energy: -17.160 Base-Backbone interact. energy: 2.682 local terms energy: -43.983901 where: bonds (distance) C4'-P energy: -10.633 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -11.649 flat angles P-C4'-P energy: -8.573 tors. eta vs tors. theta energy: 1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -78.528455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.528455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.528455 (E_RNA) where: Base-Base interactions energy: -34.671 where: short stacking energy: -26.297 Base-Backbone interact. energy: -0.073 local terms energy: -43.784367 where: bonds (distance) C4'-P energy: -10.305 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -99.431508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.431508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.431508 (E_RNA) where: Base-Base interactions energy: -47.142 where: short stacking energy: -14.673 Base-Backbone interact. energy: -0.198 local terms energy: -52.091391 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -15.775 flat angles P-C4'-P energy: -10.097 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: 10, replica: 2 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -71.853267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.853267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.853267 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -27.374 Base-Backbone interact. energy: -0.278 local terms energy: -44.201791 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -11.744 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -182.241436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.241436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.241436 (E_RNA) where: Base-Base interactions energy: -109.441 where: short stacking energy: -63.879 Base-Backbone interact. energy: -0.425 local terms energy: -72.375925 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -15.350 flat angles C4'-P-C4' energy: -15.380 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: -17.430 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: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -173.598896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.598896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.598896 (E_RNA) where: Base-Base interactions energy: -103.270 where: short stacking energy: -48.869 Base-Backbone interact. energy: 1.256 local terms energy: -71.585668 where: bonds (distance) C4'-P energy: -11.248 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -15.326 flat angles P-C4'-P energy: -11.410 tors. eta vs tors. theta energy: -16.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -170.948548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.948548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.948548 (E_RNA) where: Base-Base interactions energy: -110.257 where: short stacking energy: -56.431 Base-Backbone interact. energy: 0.248 local terms energy: -60.939165 where: bonds (distance) C4'-P energy: -10.839 bonds (distance) P-C4' energy: -16.688 flat angles C4'-P-C4' energy: -10.651 flat angles P-C4'-P energy: -7.033 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: 4, replica: 7 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -169.065031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.065031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.065031 (E_RNA) where: Base-Base interactions energy: -105.767 where: short stacking energy: -49.657 Base-Backbone interact. energy: -0.155 local terms energy: -63.143027 where: bonds (distance) C4'-P energy: -14.788 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -11.983 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: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -93.614355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.614355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.614355 (E_RNA) where: Base-Base interactions energy: -35.705 where: short stacking energy: -35.705 Base-Backbone interact. energy: -0.013 local terms energy: -57.897321 where: bonds (distance) C4'-P energy: -14.938 bonds (distance) P-C4' energy: -12.600 flat angles C4'-P-C4' energy: -11.266 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -9.715 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: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -95.798101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.798101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.798101 (E_RNA) where: Base-Base interactions energy: -42.444 where: short stacking energy: -31.759 Base-Backbone interact. energy: -0.193 local terms energy: -53.160475 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -12.089 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -10.337 tors. eta vs tors. theta energy: -5.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -85.266402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.266402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.266402 (E_RNA) where: Base-Base interactions energy: -28.255 where: short stacking energy: -23.656 Base-Backbone interact. energy: -0.727 local terms energy: -56.283765 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -15.248 flat angles C4'-P-C4' energy: -15.048 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -78.690305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.690305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.690305 (E_RNA) where: Base-Base interactions energy: -39.590 where: short stacking energy: -26.162 Base-Backbone interact. energy: -0.225 local terms energy: -38.875595 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -9.455 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: -1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -75.828547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.828547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.828547 (E_RNA) where: Base-Base interactions energy: -24.612 where: short stacking energy: -24.612 Base-Backbone interact. energy: -0.000 local terms energy: -51.215856 where: bonds (distance) C4'-P energy: -8.567 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -12.486 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -8.333 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: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -62.440424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.440424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.440424 (E_RNA) where: Base-Base interactions energy: -24.747 where: short stacking energy: -24.747 Base-Backbone interact. energy: -0.299 local terms energy: -37.394666 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.747 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -9.454 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: 6 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -183.550964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.550964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.550964 (E_RNA) where: Base-Base interactions energy: -110.386 where: short stacking energy: -50.912 Base-Backbone interact. energy: -0.632 local terms energy: -72.533071 where: bonds (distance) C4'-P energy: -14.597 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -14.143 flat angles P-C4'-P energy: -11.815 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: 2, replica: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -177.395865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.395865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.395865 (E_RNA) where: Base-Base interactions energy: -120.554 where: short stacking energy: -56.415 Base-Backbone interact. energy: -0.615 local terms energy: -56.226410 where: bonds (distance) C4'-P energy: -9.970 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -10.796 flat angles P-C4'-P energy: -4.523 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: 3, replica: 1 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -174.329484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.329484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.329484 (E_RNA) where: Base-Base interactions energy: -107.769 where: short stacking energy: -60.778 Base-Backbone interact. energy: -0.223 local terms energy: -66.337859 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -13.064 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -16.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -160.406891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.406891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.406891 (E_RNA) where: Base-Base interactions energy: -102.228 where: short stacking energy: -37.244 Base-Backbone interact. energy: -1.031 local terms energy: -57.148472 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -11.776 flat angles C4'-P-C4' energy: -13.267 flat angles P-C4'-P energy: -10.730 tors. eta vs tors. theta energy: -9.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -115.420494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.420494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.420494 (E_RNA) where: Base-Base interactions energy: -63.565 where: short stacking energy: -54.511 Base-Backbone interact. energy: -0.017 local terms energy: -51.839026 where: bonds (distance) C4'-P energy: -7.441 bonds (distance) P-C4' energy: -15.435 flat angles C4'-P-C4' energy: -11.026 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -11.594 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: 6, replica: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -101.479667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.479667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.479667 (E_RNA) where: Base-Base interactions energy: -38.437 where: short stacking energy: -38.437 Base-Backbone interact. energy: -0.100 local terms energy: -62.942402 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -15.303 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -12.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -91.877920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.877920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.877920 (E_RNA) where: Base-Base interactions energy: -36.305 where: short stacking energy: -36.305 Base-Backbone interact. energy: -0.159 local terms energy: -55.413210 where: bonds (distance) C4'-P energy: -13.356 bonds (distance) P-C4' energy: -12.660 flat angles C4'-P-C4' energy: -10.422 flat angles P-C4'-P energy: -7.214 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: 8, replica: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -82.634506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.634506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.634506 (E_RNA) where: Base-Base interactions energy: -36.044 where: short stacking energy: -20.416 Base-Backbone interact. energy: -0.110 local terms energy: -46.480113 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -13.874 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -11.603 tors. eta vs tors. theta energy: -1.726 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: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -71.465317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.465317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.465317 (E_RNA) where: Base-Base interactions energy: -28.730 where: short stacking energy: -16.469 Base-Backbone interact. energy: -0.343 local terms energy: -42.391726 where: bonds (distance) C4'-P energy: -8.860 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -7.581 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: 10, replica: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -73.780330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.780330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.780330 (E_RNA) where: Base-Base interactions energy: -26.781 where: short stacking energy: -24.463 Base-Backbone interact. energy: -0.029 local terms energy: -46.970913 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -10.866 flat angles P-C4'-P energy: -7.331 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -182.962546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.962546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.962546 (E_RNA) where: Base-Base interactions energy: -114.776 where: short stacking energy: -58.615 Base-Backbone interact. energy: -0.002 local terms energy: -68.184503 where: bonds (distance) C4'-P energy: -14.681 bonds (distance) P-C4' energy: -14.988 flat angles C4'-P-C4' energy: -12.956 flat angles P-C4'-P energy: -8.514 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: 6 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -177.258540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.258540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.258540 (E_RNA) where: Base-Base interactions energy: -111.787 where: short stacking energy: -53.682 Base-Backbone interact. energy: -0.824 local terms energy: -64.647566 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -6.154 tors. eta vs tors. theta energy: -13.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -171.959685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.959685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.959685 (E_RNA) where: Base-Base interactions energy: -108.694 where: short stacking energy: -46.674 Base-Backbone interact. energy: -1.024 local terms energy: -62.241821 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -8.984 tors. eta vs tors. theta energy: -13.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -168.339117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.339117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.339117 (E_RNA) where: Base-Base interactions energy: -110.114 where: short stacking energy: -40.294 Base-Backbone interact. energy: -0.903 local terms energy: -57.322424 where: bonds (distance) C4'-P energy: -14.531 bonds (distance) P-C4' energy: -10.936 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -6.366 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: 5, replica: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -92.807808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.807808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.807808 (E_RNA) where: Base-Base interactions energy: -34.067 where: short stacking energy: -31.438 Base-Backbone interact. energy: -0.227 local terms energy: -58.513307 where: bonds (distance) C4'-P energy: -13.328 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -6.837 tors. eta vs tors. theta energy: -9.317 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: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -97.564149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.564149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.564149 (E_RNA) where: Base-Base interactions energy: -59.118 where: short stacking energy: -33.135 Base-Backbone interact. energy: 0.845 local terms energy: -39.290836 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -1.492 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -91.515900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.515900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.515900 (E_RNA) where: Base-Base interactions energy: -42.206 where: short stacking energy: -17.697 Base-Backbone interact. energy: 0.346 local terms energy: -49.655601 where: bonds (distance) C4'-P energy: -13.624 bonds (distance) P-C4' energy: -16.682 flat angles C4'-P-C4' energy: -8.966 flat angles P-C4'-P energy: -8.038 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -78.337534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.337534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.337534 (E_RNA) where: Base-Base interactions energy: -31.675 where: short stacking energy: -31.675 Base-Backbone interact. energy: -0.071 local terms energy: -46.591559 where: bonds (distance) C4'-P energy: -8.662 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -15.014 flat angles P-C4'-P energy: -5.125 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: 9, replica: 4 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -71.497429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.497429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.497429 (E_RNA) where: Base-Base interactions energy: -30.455 where: short stacking energy: -30.416 Base-Backbone interact. energy: -0.177 local terms energy: -40.865745 where: bonds (distance) C4'-P energy: -10.044 bonds (distance) P-C4' energy: -9.867 flat angles C4'-P-C4' energy: -10.377 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -3.495 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: 2 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -65.057429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.057429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.057429 (E_RNA) where: Base-Base interactions energy: -24.661 where: short stacking energy: -20.781 Base-Backbone interact. energy: -0.687 local terms energy: -39.709772 where: bonds (distance) C4'-P energy: -11.962 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -9.430 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: 1.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -178.235907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.235907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.235907 (E_RNA) where: Base-Base interactions energy: -109.388 where: short stacking energy: -51.666 Base-Backbone interact. energy: -0.102 local terms energy: -68.746409 where: bonds (distance) C4'-P energy: -14.954 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -17.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -177.352820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.352820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.352820 (E_RNA) where: Base-Base interactions energy: -106.159 where: short stacking energy: -53.497 Base-Backbone interact. energy: -0.137 local terms energy: -71.056258 where: bonds (distance) C4'-P energy: -14.793 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -14.141 flat angles P-C4'-P energy: -12.192 tors. eta vs tors. theta energy: -15.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -166.850788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.850788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.850788 (E_RNA) where: Base-Base interactions energy: -98.899 where: short stacking energy: -50.367 Base-Backbone interact. energy: -0.064 local terms energy: -67.887924 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -16.492 flat angles P-C4'-P energy: -12.151 tors. eta vs tors. theta energy: -14.885 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: 4, replica: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -160.351944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.351944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.351944 (E_RNA) where: Base-Base interactions energy: -107.764 where: short stacking energy: -50.631 Base-Backbone interact. energy: -0.957 local terms energy: -51.630635 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -7.421 tors. eta vs tors. theta energy: -12.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -86.228689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.228689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.228689 (E_RNA) where: Base-Base interactions energy: -36.524 where: short stacking energy: -36.524 Base-Backbone interact. energy: -0.256 local terms energy: -49.449018 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -12.510 flat angles C4'-P-C4' energy: -13.494 flat angles P-C4'-P energy: -5.889 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: 6, replica: 9 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -89.558629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.558629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.558629 (E_RNA) where: Base-Base interactions energy: -32.214 where: short stacking energy: -29.036 Base-Backbone interact. energy: -0.092 local terms energy: -57.252358 where: bonds (distance) C4'-P energy: -15.393 bonds (distance) P-C4' energy: -14.274 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -4.750 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: 117 Temperature: 1.200000 Total energy: -75.359160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.359160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.359160 (E_RNA) where: Base-Base interactions energy: -33.829 where: short stacking energy: -27.946 Base-Backbone interact. energy: 1.263 local terms energy: -42.793204 where: bonds (distance) C4'-P energy: -14.259 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: -2.833 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: 10 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -97.683395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.683395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.683395 (E_RNA) where: Base-Base interactions energy: -46.900 where: short stacking energy: -27.204 Base-Backbone interact. energy: -0.089 local terms energy: -50.695002 where: bonds (distance) C4'-P energy: -12.526 bonds (distance) P-C4' energy: -9.776 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -8.839 tors. eta vs tors. theta energy: -6.424 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: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -72.283926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.283926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.283926 (E_RNA) where: Base-Base interactions energy: -26.358 where: short stacking energy: -24.822 Base-Backbone interact. energy: -0.191 local terms energy: -45.734599 where: bonds (distance) C4'-P energy: -10.318 bonds (distance) P-C4' energy: -13.104 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -1.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -73.112782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.112782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.112782 (E_RNA) where: Base-Base interactions energy: -22.026 where: short stacking energy: -20.998 Base-Backbone interact. energy: -0.269 local terms energy: -50.817534 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -184.378339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.378339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.378339 (E_RNA) where: Base-Base interactions energy: -121.388 where: short stacking energy: -54.045 Base-Backbone interact. energy: -1.662 local terms energy: -61.328337 where: bonds (distance) C4'-P energy: -15.173 bonds (distance) P-C4' energy: -13.866 flat angles C4'-P-C4' energy: -11.065 flat angles P-C4'-P energy: -8.859 tors. eta vs tors. theta energy: -12.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -182.405275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.405275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.405275 (E_RNA) where: Base-Base interactions energy: -114.416 where: short stacking energy: -61.499 Base-Backbone interact. energy: -0.007 local terms energy: -67.982030 where: bonds (distance) C4'-P energy: -12.026 bonds (distance) P-C4' energy: -12.264 flat angles C4'-P-C4' energy: -15.938 flat angles P-C4'-P energy: -9.012 tors. eta vs tors. theta energy: -18.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -169.064712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.064712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.064712 (E_RNA) where: Base-Base interactions energy: -110.297 where: short stacking energy: -45.145 Base-Backbone interact. energy: -0.519 local terms energy: -58.249260 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -11.187 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -16.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -177.149894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.149894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.149894 (E_RNA) where: Base-Base interactions energy: -111.672 where: short stacking energy: -61.513 Base-Backbone interact. energy: -0.106 local terms energy: -65.371975 where: bonds (distance) C4'-P energy: -12.876 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -5.185 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: 5, replica: 9 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -85.600276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.600276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.600276 (E_RNA) where: Base-Base interactions energy: -37.811 where: short stacking energy: -27.797 Base-Backbone interact. energy: -0.053 local terms energy: -47.736662 where: bonds (distance) C4'-P energy: -14.700 bonds (distance) P-C4' energy: -11.299 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -7.513 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -86.681646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.681646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.681646 (E_RNA) where: Base-Base interactions energy: -35.128 where: short stacking energy: -35.128 Base-Backbone interact. energy: -1.079 local terms energy: -50.474202 where: bonds (distance) C4'-P energy: -6.281 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -11.418 tors. eta vs tors. theta energy: -9.109 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: 10 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -90.706021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.706021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.706021 (E_RNA) where: Base-Base interactions energy: -43.734 where: short stacking energy: -28.690 Base-Backbone interact. energy: -0.771 local terms energy: -46.200620 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -16.865 flat angles C4'-P-C4' energy: -9.381 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -4.653 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: 8, replica: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -75.210212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.210212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.210212 (E_RNA) where: Base-Base interactions energy: -29.420 where: short stacking energy: -27.233 Base-Backbone interact. energy: -0.027 local terms energy: -45.763302 where: bonds (distance) C4'-P energy: -13.029 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -10.154 flat angles P-C4'-P energy: -6.649 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: 9, replica: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -71.151627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.151627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.151627 (E_RNA) where: Base-Base interactions energy: -22.602 where: short stacking energy: -22.602 Base-Backbone interact. energy: -0.136 local terms energy: -48.414231 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -9.676 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: 10, replica: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -83.121898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.121898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.121898 (E_RNA) where: Base-Base interactions energy: -28.664 where: short stacking energy: -15.397 Base-Backbone interact. energy: -0.381 local terms energy: -54.076721 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -12.410 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -6.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -180.926498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.926498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.926498 (E_RNA) where: Base-Base interactions energy: -112.461 where: short stacking energy: -60.696 Base-Backbone interact. energy: -0.064 local terms energy: -68.402054 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -16.473 flat angles P-C4'-P energy: -10.314 tors. eta vs tors. theta energy: -14.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -178.578325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.578325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.578325 (E_RNA) where: Base-Base interactions energy: -115.907 where: short stacking energy: -58.804 Base-Backbone interact. energy: -0.647 local terms energy: -62.023900 where: bonds (distance) C4'-P energy: -11.560 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -11.371 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -18.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -176.398075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.398075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.398075 (E_RNA) where: Base-Base interactions energy: -112.406 where: short stacking energy: -53.823 Base-Backbone interact. energy: -0.494 local terms energy: -63.498421 where: bonds (distance) C4'-P energy: -16.312 bonds (distance) P-C4' energy: -13.248 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -14.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -124.846649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.846649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.846649 (E_RNA) where: Base-Base interactions energy: -65.214 where: short stacking energy: -37.734 Base-Backbone interact. energy: -0.007 local terms energy: -59.625354 where: bonds (distance) C4'-P energy: -15.211 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -13.164 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: -7.861 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: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -168.667805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.667805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.667805 (E_RNA) where: Base-Base interactions energy: -108.201 where: short stacking energy: -52.931 Base-Backbone interact. energy: -0.394 local terms energy: -60.072234 where: bonds (distance) C4'-P energy: -9.605 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -14.623 flat angles P-C4'-P energy: -9.399 tors. eta vs tors. theta energy: -12.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -91.913737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.913737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.913737 (E_RNA) where: Base-Base interactions energy: -36.594 where: short stacking energy: -36.594 Base-Backbone interact. energy: -0.046 local terms energy: -55.274524 where: bonds (distance) C4'-P energy: -11.386 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -10.180 flat angles P-C4'-P energy: -7.659 tors. eta vs tors. theta energy: -10.136 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: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -89.042498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.042498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.042498 (E_RNA) where: Base-Base interactions energy: -34.030 where: short stacking energy: -24.681 Base-Backbone interact. energy: -0.015 local terms energy: -54.997409 where: bonds (distance) C4'-P energy: -14.051 bonds (distance) P-C4' energy: -15.393 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -8.200 tors. eta vs tors. theta energy: -3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -81.530734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.530734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.530734 (E_RNA) where: Base-Base interactions energy: -35.678 where: short stacking energy: -22.784 Base-Backbone interact. energy: -0.312 local terms energy: -45.540399 where: bonds (distance) C4'-P energy: -11.125 bonds (distance) P-C4' energy: -10.676 flat angles C4'-P-C4' energy: -14.240 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -69.382628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.382628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.382628 (E_RNA) where: Base-Base interactions energy: -27.715 where: short stacking energy: -24.534 Base-Backbone interact. energy: 0.063 local terms energy: -41.730997 where: bonds (distance) C4'-P energy: -11.534 bonds (distance) P-C4' energy: -13.320 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: 0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -66.340331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.340331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.340331 (E_RNA) where: Base-Base interactions energy: -28.660 where: short stacking energy: -25.189 Base-Backbone interact. energy: -0.101 local terms energy: -37.579911 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -8.473 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -7.340 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: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -174.570420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.570420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.570420 (E_RNA) where: Base-Base interactions energy: -110.387 where: short stacking energy: -52.860 Base-Backbone interact. energy: -0.393 local terms energy: -63.790258 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -11.231 tors. eta vs tors. theta energy: -10.237 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: 7 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -176.665797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.665797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.665797 (E_RNA) where: Base-Base interactions energy: -117.483 where: short stacking energy: -59.013 Base-Backbone interact. energy: -0.002 local terms energy: -59.181298 where: bonds (distance) C4'-P energy: -10.980 bonds (distance) P-C4' energy: -14.043 flat angles C4'-P-C4' energy: -14.251 flat angles P-C4'-P energy: -2.264 tors. eta vs tors. theta energy: -17.644 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: 120 Temperature: 1.000000 Total energy: -179.769091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.769091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.769091 (E_RNA) where: Base-Base interactions energy: -112.947 where: short stacking energy: -51.900 Base-Backbone interact. energy: -1.448 local terms energy: -65.373604 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -10.675 flat angles P-C4'-P energy: -8.438 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: 4, replica: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -125.145979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.145979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.145979 (E_RNA) where: Base-Base interactions energy: -75.426 where: short stacking energy: -38.818 Base-Backbone interact. energy: -0.245 local terms energy: -49.475111 where: bonds (distance) C4'-P energy: -11.523 bonds (distance) P-C4' energy: -11.209 flat angles C4'-P-C4' energy: -9.471 flat angles P-C4'-P energy: -9.234 tors. eta vs tors. theta energy: -8.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -154.177575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.177575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.177575 (E_RNA) where: Base-Base interactions energy: -94.621 where: short stacking energy: -47.014 Base-Backbone interact. energy: 0.166 local terms energy: -59.722165 where: bonds (distance) C4'-P energy: -11.825 bonds (distance) P-C4' energy: -14.835 flat angles C4'-P-C4' energy: -12.007 flat angles P-C4'-P energy: -7.876 tors. eta vs tors. theta energy: -13.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -113.085607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.085607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.085607 (E_RNA) where: Base-Base interactions energy: -58.115 where: short stacking energy: -43.899 Base-Backbone interact. energy: 0.707 local terms energy: -55.677634 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -10.414 flat angles C4'-P-C4' energy: -11.817 flat angles P-C4'-P energy: -8.578 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: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -88.277456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.277456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.277456 (E_RNA) where: Base-Base interactions energy: -34.650 where: short stacking energy: -34.650 Base-Backbone interact. energy: -0.040 local terms energy: -53.587465 where: bonds (distance) C4'-P energy: -11.465 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -5.948 tors. eta vs tors. theta energy: -7.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -67.969835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.969835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.969835 (E_RNA) where: Base-Base interactions energy: -30.601 where: short stacking energy: -27.459 Base-Backbone interact. energy: -0.006 local terms energy: -37.363036 where: bonds (distance) C4'-P energy: -9.672 bonds (distance) P-C4' energy: -15.628 flat angles C4'-P-C4' energy: -1.914 flat angles P-C4'-P energy: -6.428 tors. eta vs tors. theta energy: -3.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -82.235952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.235952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.235952 (E_RNA) where: Base-Base interactions energy: -33.262 where: short stacking energy: -21.263 Base-Backbone interact. energy: -0.595 local terms energy: -48.379611 where: bonds (distance) C4'-P energy: -9.460 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -12.369 flat angles P-C4'-P energy: -10.712 tors. eta vs tors. theta energy: -1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -71.185625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.185625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.185625 (E_RNA) where: Base-Base interactions energy: -21.347 where: short stacking energy: -21.347 Base-Backbone interact. energy: -0.161 local terms energy: -49.677738 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -7.148 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -171.051637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.051637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.051637 (E_RNA) where: Base-Base interactions energy: -111.979 where: short stacking energy: -51.207 Base-Backbone interact. energy: -0.315 local terms energy: -58.757386 where: bonds (distance) C4'-P energy: -12.296 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -10.260 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -18.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -180.051225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.051225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.051225 (E_RNA) where: Base-Base interactions energy: -111.798 where: short stacking energy: -60.136 Base-Backbone interact. energy: -0.108 local terms energy: -68.145066 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -10.496 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: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -174.334360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.334360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.334360 (E_RNA) where: Base-Base interactions energy: -106.968 where: short stacking energy: -55.004 Base-Backbone interact. energy: -0.272 local terms energy: -67.094299 where: bonds (distance) C4'-P energy: -13.252 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -9.358 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: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -164.207222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.207222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.207222 (E_RNA) where: Base-Base interactions energy: -107.328 where: short stacking energy: -52.697 Base-Backbone interact. energy: -0.097 local terms energy: -56.782345 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -11.612 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -3.034 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: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -117.144515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.144515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.144515 (E_RNA) where: Base-Base interactions energy: -60.850 where: short stacking energy: -39.507 Base-Backbone interact. energy: -0.147 local terms energy: -56.147460 where: bonds (distance) C4'-P energy: -16.105 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -10.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -83.500334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.500334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.500334 (E_RNA) where: Base-Base interactions energy: -39.951 where: short stacking energy: -34.229 Base-Backbone interact. energy: -0.015 local terms energy: -43.534221 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -1.117 tors. eta vs tors. theta energy: -5.801 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: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -81.533590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.533590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.533590 (E_RNA) where: Base-Base interactions energy: -31.545 where: short stacking energy: -22.532 Base-Backbone interact. energy: 0.877 local terms energy: -50.864842 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -6.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -79.625466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.625466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.625466 (E_RNA) where: Base-Base interactions energy: -36.402 where: short stacking energy: -15.698 Base-Backbone interact. energy: -0.086 local terms energy: -43.137383 where: bonds (distance) C4'-P energy: -13.932 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -11.086 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: 2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -72.830530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.830530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.830530 (E_RNA) where: Base-Base interactions energy: -27.879 where: short stacking energy: -24.164 Base-Backbone interact. energy: -0.612 local terms energy: -44.339207 where: bonds (distance) C4'-P energy: -10.851 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -10.009 flat angles P-C4'-P energy: -1.199 tors. eta vs tors. theta energy: -7.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -67.764187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.764187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.764187 (E_RNA) where: Base-Base interactions energy: -28.529 where: short stacking energy: -7.997 Base-Backbone interact. energy: -1.003 local terms energy: -38.232649 where: bonds (distance) C4'-P energy: -14.220 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: 1.197 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: 122 Temperature: 0.900000 Total energy: -178.660740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.660740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.660740 (E_RNA) where: Base-Base interactions energy: -113.045 where: short stacking energy: -55.758 Base-Backbone interact. energy: -0.005 local terms energy: -65.610508 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -10.681 flat angles P-C4'-P energy: -7.808 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: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -172.012459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.012459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.012459 (E_RNA) where: Base-Base interactions energy: -96.469 where: short stacking energy: -54.783 Base-Backbone interact. energy: -2.150 local terms energy: -73.393726 where: bonds (distance) C4'-P energy: -15.619 bonds (distance) P-C4' energy: -17.342 flat angles C4'-P-C4' energy: -14.934 flat angles P-C4'-P energy: -10.352 tors. eta vs tors. theta energy: -15.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -173.895726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.895726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.895726 (E_RNA) where: Base-Base interactions energy: -105.390 where: short stacking energy: -55.510 Base-Backbone interact. energy: -0.002 local terms energy: -68.503504 where: bonds (distance) C4'-P energy: -12.862 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -15.102 flat angles P-C4'-P energy: -11.608 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: 4, replica: 7 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -160.885298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.885298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.885298 (E_RNA) where: Base-Base interactions energy: -102.602 where: short stacking energy: -47.664 Base-Backbone interact. energy: -0.451 local terms energy: -57.832220 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -9.605 flat angles P-C4'-P energy: -12.362 tors. eta vs tors. theta energy: -9.057 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: 5, replica: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -91.887640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.887640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.887640 (E_RNA) where: Base-Base interactions energy: -29.437 where: short stacking energy: -29.413 Base-Backbone interact. energy: -0.183 local terms energy: -62.266934 where: bonds (distance) C4'-P energy: -15.881 bonds (distance) P-C4' energy: -16.662 flat angles C4'-P-C4' energy: -17.205 flat angles P-C4'-P energy: -6.711 tors. eta vs tors. theta energy: -5.808 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: 122 Temperature: 1.150000 Total energy: -104.497980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.497980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.497980 (E_RNA) where: Base-Base interactions energy: -42.560 where: short stacking energy: -29.175 Base-Backbone interact. energy: -0.485 local terms energy: -61.452752 where: bonds (distance) C4'-P energy: -10.424 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -14.328 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -10.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -85.929000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.929000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.929000 (E_RNA) where: Base-Base interactions energy: -35.569 where: short stacking energy: -35.569 Base-Backbone interact. energy: -0.117 local terms energy: -50.243141 where: bonds (distance) C4'-P energy: -7.346 bonds (distance) P-C4' energy: -12.317 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -10.756 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -100.287639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.287639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.287639 (E_RNA) where: Base-Base interactions energy: -47.099 where: short stacking energy: -27.943 Base-Backbone interact. energy: -0.125 local terms energy: -53.063712 where: bonds (distance) C4'-P energy: -11.340 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -12.163 flat angles P-C4'-P energy: -8.434 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: 9, replica: 4 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -70.588981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.588981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.588981 (E_RNA) where: Base-Base interactions energy: -27.877 where: short stacking energy: -23.303 Base-Backbone interact. energy: -0.206 local terms energy: -42.505799 where: bonds (distance) C4'-P energy: -12.599 bonds (distance) P-C4' energy: -12.824 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -7.790 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -72.887268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.887268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.887268 (E_RNA) where: Base-Base interactions energy: -29.103 where: short stacking energy: -22.130 Base-Backbone interact. energy: -0.036 local terms energy: -43.748483 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -8.821 flat angles P-C4'-P energy: -6.629 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -178.957695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.957695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.957695 (E_RNA) where: Base-Base interactions energy: -108.656 where: short stacking energy: -60.370 Base-Backbone interact. energy: -2.648 local terms energy: -67.653792 where: bonds (distance) C4'-P energy: -10.665 bonds (distance) P-C4' energy: -12.178 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -11.597 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: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -189.763213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.763213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.763213 (E_RNA) where: Base-Base interactions energy: -119.069 where: short stacking energy: -63.261 Base-Backbone interact. energy: -0.598 local terms energy: -70.095370 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -12.355 tors. eta vs tors. theta energy: -16.147 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: 3, replica: 6 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -177.896793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.896793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.896793 (E_RNA) where: Base-Base interactions energy: -111.170 where: short stacking energy: -50.016 Base-Backbone interact. energy: -0.727 local terms energy: -65.999565 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -14.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -149.373371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.373371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.373371 (E_RNA) where: Base-Base interactions energy: -92.240 where: short stacking energy: -39.094 Base-Backbone interact. energy: -0.006 local terms energy: -57.127641 where: bonds (distance) C4'-P energy: -14.184 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -5.743 tors. eta vs tors. theta energy: -10.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -99.526461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.526461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.526461 (E_RNA) where: Base-Base interactions energy: -42.831 where: short stacking energy: -42.831 Base-Backbone interact. energy: -0.013 local terms energy: -56.683386 where: bonds (distance) C4'-P energy: -14.449 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -9.101 tors. eta vs tors. theta energy: -9.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -123.014784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.014784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.014784 (E_RNA) where: Base-Base interactions energy: -61.453 where: short stacking energy: -34.319 Base-Backbone interact. energy: -0.065 local terms energy: -61.496100 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -11.330 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -12.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -79.562086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.562086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.562086 (E_RNA) where: Base-Base interactions energy: -26.800 where: short stacking energy: -25.632 Base-Backbone interact. energy: 0.755 local terms energy: -53.516925 where: bonds (distance) C4'-P energy: -13.023 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -9.174 flat angles P-C4'-P energy: -6.923 tors. eta vs tors. theta energy: -10.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -83.665770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.665770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.665770 (E_RNA) where: Base-Base interactions energy: -37.193 where: short stacking energy: -27.746 Base-Backbone interact. energy: -0.279 local terms energy: -46.193017 where: bonds (distance) C4'-P energy: -15.340 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -10.120 flat angles P-C4'-P energy: -8.271 tors. eta vs tors. theta energy: -0.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -84.583654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.583654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.583654 (E_RNA) where: Base-Base interactions energy: -37.069 where: short stacking energy: -33.826 Base-Backbone interact. energy: 1.079 local terms energy: -48.593923 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -13.491 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -6.990 tors. eta vs tors. theta energy: -2.638 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: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -75.702802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.702802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.702802 (E_RNA) where: Base-Base interactions energy: -29.233 where: short stacking energy: -29.233 Base-Backbone interact. energy: -1.292 local terms energy: -45.177480 where: bonds (distance) C4'-P energy: -12.312 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -11.043 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -167.378416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.378416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.378416 (E_RNA) where: Base-Base interactions energy: -105.581 where: short stacking energy: -57.307 Base-Backbone interact. energy: 0.996 local terms energy: -62.793258 where: bonds (distance) C4'-P energy: -9.108 bonds (distance) P-C4' energy: -14.915 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -11.202 tors. eta vs tors. theta energy: -15.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -187.494137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.494137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.494137 (E_RNA) where: Base-Base interactions energy: -123.812 where: short stacking energy: -53.403 Base-Backbone interact. energy: -1.497 local terms energy: -62.184949 where: bonds (distance) C4'-P energy: -15.053 bonds (distance) P-C4' energy: -10.956 flat angles C4'-P-C4' energy: -14.466 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -13.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -172.805299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.805299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.805299 (E_RNA) where: Base-Base interactions energy: -103.786 where: short stacking energy: -53.428 Base-Backbone interact. energy: -0.075 local terms energy: -68.944259 where: bonds (distance) C4'-P energy: -15.555 bonds (distance) P-C4' energy: -13.820 flat angles C4'-P-C4' energy: -12.090 flat angles P-C4'-P energy: -11.461 tors. eta vs tors. theta energy: -16.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -140.908453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.908453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.908453 (E_RNA) where: Base-Base interactions energy: -89.314 where: short stacking energy: -41.121 Base-Backbone interact. energy: -0.334 local terms energy: -51.260820 where: bonds (distance) C4'-P energy: -15.128 bonds (distance) P-C4' energy: -11.410 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -10.578 tors. eta vs tors. theta energy: -7.763 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: 5, replica: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -140.702057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.702057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.702057 (E_RNA) where: Base-Base interactions energy: -83.510 where: short stacking energy: -46.681 Base-Backbone interact. energy: -0.167 local terms energy: -57.024934 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -15.576 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -10.960 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: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -82.236751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.236751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.236751 (E_RNA) where: Base-Base interactions energy: -36.629 where: short stacking energy: -23.738 Base-Backbone interact. energy: -0.154 local terms energy: -45.453463 where: bonds (distance) C4'-P energy: -13.551 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -10.023 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: -0.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -78.327140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.327140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.327140 (E_RNA) where: Base-Base interactions energy: -35.258 where: short stacking energy: -6.316 Base-Backbone interact. energy: -0.212 local terms energy: -42.857674 where: bonds (distance) C4'-P energy: -12.441 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -13.374 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: 5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -74.502515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.502515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.502515 (E_RNA) where: Base-Base interactions energy: -31.148 where: short stacking energy: -18.514 Base-Backbone interact. energy: 0.880 local terms energy: -44.234664 where: bonds (distance) C4'-P energy: -13.477 bonds (distance) P-C4' energy: -11.334 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -73.602193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.602193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.602193 (E_RNA) where: Base-Base interactions energy: -27.439 where: short stacking energy: -27.439 Base-Backbone interact. energy: -0.400 local terms energy: -45.763430 where: bonds (distance) C4'-P energy: -9.026 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -10.361 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -7.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -68.141302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.141302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.141302 (E_RNA) where: Base-Base interactions energy: -27.350 where: short stacking energy: -18.381 Base-Backbone interact. energy: -0.267 local terms energy: -40.524315 where: bonds (distance) C4'-P energy: -10.569 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -3.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -185.994012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.994012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.994012 (E_RNA) where: Base-Base interactions energy: -115.394 where: short stacking energy: -61.109 Base-Backbone interact. energy: -0.128 local terms energy: -70.471857 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -15.433 flat angles P-C4'-P energy: -9.589 tors. eta vs tors. theta energy: -16.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -180.352282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.352282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.352282 (E_RNA) where: Base-Base interactions energy: -115.910 where: short stacking energy: -47.947 Base-Backbone interact. energy: -1.033 local terms energy: -63.409547 where: bonds (distance) C4'-P energy: -15.421 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -14.398 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -14.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -172.694720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.694720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.694720 (E_RNA) where: Base-Base interactions energy: -111.340 where: short stacking energy: -46.144 Base-Backbone interact. energy: -0.318 local terms energy: -61.036577 where: bonds (distance) C4'-P energy: -15.500 bonds (distance) P-C4' energy: -11.445 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -10.365 tors. eta vs tors. theta energy: -10.900 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: 7 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -157.478361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.478361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.478361 (E_RNA) where: Base-Base interactions energy: -96.229 where: short stacking energy: -47.738 Base-Backbone interact. energy: -0.589 local terms energy: -60.660500 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -13.164 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -15.243 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: 125 Temperature: 1.100000 Total energy: -132.981043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.981043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.981043 (E_RNA) where: Base-Base interactions energy: -81.225 where: short stacking energy: -36.878 Base-Backbone interact. energy: 0.006 local terms energy: -51.761549 where: bonds (distance) C4'-P energy: -10.906 bonds (distance) P-C4' energy: -14.477 flat angles C4'-P-C4' energy: -13.295 flat angles P-C4'-P energy: -7.900 tors. eta vs tors. theta energy: -5.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -95.339924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.339924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.339924 (E_RNA) where: Base-Base interactions energy: -40.875 where: short stacking energy: -40.875 Base-Backbone interact. energy: -0.053 local terms energy: -54.411933 where: bonds (distance) C4'-P energy: -12.241 bonds (distance) P-C4' energy: -10.608 flat angles C4'-P-C4' energy: -11.774 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -10.853 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: 5 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -82.985630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.985630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.985630 (E_RNA) where: Base-Base interactions energy: -31.738 where: short stacking energy: -31.309 Base-Backbone interact. energy: -0.237 local terms energy: -51.010796 where: bonds (distance) C4'-P energy: -14.747 bonds (distance) P-C4' energy: -14.573 flat angles C4'-P-C4' energy: -11.032 flat angles P-C4'-P energy: -7.793 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -79.414942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.414942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.414942 (E_RNA) where: Base-Base interactions energy: -32.720 where: short stacking energy: -26.434 Base-Backbone interact. energy: -0.014 local terms energy: -46.681324 where: bonds (distance) C4'-P energy: -9.440 bonds (distance) P-C4' energy: -12.559 flat angles C4'-P-C4' energy: -10.219 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: -6.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -68.955313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.955313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.955313 (E_RNA) where: Base-Base interactions energy: -22.754 where: short stacking energy: -18.266 Base-Backbone interact. energy: -0.572 local terms energy: -45.630066 where: bonds (distance) C4'-P energy: -11.898 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -13.396 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -70.853443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.853443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.853443 (E_RNA) where: Base-Base interactions energy: -28.737 where: short stacking energy: -20.256 Base-Backbone interact. energy: -0.165 local terms energy: -41.951623 where: bonds (distance) C4'-P energy: -9.597 bonds (distance) P-C4' energy: -15.008 flat angles C4'-P-C4' energy: -11.720 flat angles P-C4'-P energy: -7.312 tors. eta vs tors. theta energy: 1.685 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: 1, replica: 6 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -179.237129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.237129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.237129 (E_RNA) where: Base-Base interactions energy: -119.936 where: short stacking energy: -53.362 Base-Backbone interact. energy: -0.315 local terms energy: -58.985717 where: bonds (distance) C4'-P energy: -13.567 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -10.161 flat angles P-C4'-P energy: -6.848 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: 2, replica: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -177.363647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.363647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.363647 (E_RNA) where: Base-Base interactions energy: -110.261 where: short stacking energy: -48.785 Base-Backbone interact. energy: -0.495 local terms energy: -66.607913 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -13.939 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -10.101 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: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -161.156339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.156339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.156339 (E_RNA) where: Base-Base interactions energy: -100.881 where: short stacking energy: -41.528 Base-Backbone interact. energy: -0.664 local terms energy: -59.610641 where: bonds (distance) C4'-P energy: -10.504 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -11.184 tors. eta vs tors. theta energy: -12.247 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: 3 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -169.757007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.757007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.757007 (E_RNA) where: Base-Base interactions energy: -101.713 where: short stacking energy: -50.257 Base-Backbone interact. energy: -0.001 local terms energy: -68.043033 where: bonds (distance) C4'-P energy: -13.625 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -8.679 tors. eta vs tors. theta energy: -14.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -99.175034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.175034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.175034 (E_RNA) where: Base-Base interactions energy: -51.753 where: short stacking energy: -44.711 Base-Backbone interact. energy: 0.232 local terms energy: -47.653482 where: bonds (distance) C4'-P energy: -10.856 bonds (distance) P-C4' energy: -9.697 flat angles C4'-P-C4' energy: -8.384 flat angles P-C4'-P energy: -11.625 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -133.221379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.221379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.221379 (E_RNA) where: Base-Base interactions energy: -86.580 where: short stacking energy: -22.686 Base-Backbone interact. energy: -1.333 local terms energy: -45.308125 where: bonds (distance) C4'-P energy: -9.686 bonds (distance) P-C4' energy: -12.945 flat angles C4'-P-C4' energy: -11.281 flat angles P-C4'-P energy: -8.503 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -80.353457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.353457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.353457 (E_RNA) where: Base-Base interactions energy: -34.257 where: short stacking energy: -21.675 Base-Backbone interact. energy: -0.286 local terms energy: -45.810507 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -10.061 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: -4.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -76.349112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.349112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.349112 (E_RNA) where: Base-Base interactions energy: -33.277 where: short stacking energy: -33.277 Base-Backbone interact. energy: -0.146 local terms energy: -42.926008 where: bonds (distance) C4'-P energy: -11.287 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -9.582 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: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -75.655138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.655138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.655138 (E_RNA) where: Base-Base interactions energy: -31.933 where: short stacking energy: -15.751 Base-Backbone interact. energy: 0.212 local terms energy: -43.934051 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: 4.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -74.428745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.428745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.428745 (E_RNA) where: Base-Base interactions energy: -39.646 where: short stacking energy: -17.973 Base-Backbone interact. energy: 0.411 local terms energy: -35.193365 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -7.813 flat angles C4'-P-C4' energy: -9.435 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -189.225071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.225071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.225071 (E_RNA) where: Base-Base interactions energy: -122.552 where: short stacking energy: -61.553 Base-Backbone interact. energy: -0.354 local terms energy: -66.318318 where: bonds (distance) C4'-P energy: -10.556 bonds (distance) P-C4' energy: -16.658 flat angles C4'-P-C4' energy: -14.976 flat angles P-C4'-P energy: -7.699 tors. eta vs tors. theta energy: -16.430 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: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -176.106520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.106520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.106520 (E_RNA) where: Base-Base interactions energy: -112.752 where: short stacking energy: -56.369 Base-Backbone interact. energy: -1.096 local terms energy: -62.258776 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -12.628 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -13.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -179.410188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.410188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.410188 (E_RNA) where: Base-Base interactions energy: -116.051 where: short stacking energy: -55.383 Base-Backbone interact. energy: -0.101 local terms energy: -63.257720 where: bonds (distance) C4'-P energy: -11.046 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -14.020 flat angles P-C4'-P energy: -8.047 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: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -159.189988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.189988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.189988 (E_RNA) where: Base-Base interactions energy: -89.570 where: short stacking energy: -45.509 Base-Backbone interact. energy: -0.015 local terms energy: -69.604597 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -15.844 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -15.356 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: 5, replica: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -91.645539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.645539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.645539 (E_RNA) where: Base-Base interactions energy: -35.153 where: short stacking energy: -35.153 Base-Backbone interact. energy: -0.014 local terms energy: -56.478074 where: bonds (distance) C4'-P energy: -13.398 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -10.079 flat angles P-C4'-P energy: -9.384 tors. eta vs tors. theta energy: -8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -125.248788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.248788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.248788 (E_RNA) where: Base-Base interactions energy: -70.826 where: short stacking energy: -36.508 Base-Backbone interact. energy: -0.768 local terms energy: -53.654894 where: bonds (distance) C4'-P energy: -13.560 bonds (distance) P-C4' energy: -11.813 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -11.332 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: 7, replica: 10 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -93.303128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.303128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.303128 (E_RNA) where: Base-Base interactions energy: -37.377 where: short stacking energy: -37.377 Base-Backbone interact. energy: -0.002 local terms energy: -55.925055 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -7.151 tors. eta vs tors. theta energy: -10.229 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: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -70.724896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.724896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.724896 (E_RNA) where: Base-Base interactions energy: -38.466 where: short stacking energy: -25.760 Base-Backbone interact. energy: -0.143 local terms energy: -32.115486 where: bonds (distance) C4'-P energy: -5.672 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -7.480 tors. eta vs tors. theta energy: 1.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -74.496057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.496057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.496057 (E_RNA) where: Base-Base interactions energy: -33.092 where: short stacking energy: -22.895 Base-Backbone interact. energy: 0.178 local terms energy: -41.581646 where: bonds (distance) C4'-P energy: -10.660 bonds (distance) P-C4' energy: -15.376 flat angles C4'-P-C4' energy: -8.686 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -67.419941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.419941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.419941 (E_RNA) where: Base-Base interactions energy: -17.704 where: short stacking energy: -16.520 Base-Backbone interact. energy: -0.383 local terms energy: -49.332916 where: bonds (distance) C4'-P energy: -12.489 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -12.775 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: -0.806 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: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -191.962038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.962038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.962038 (E_RNA) where: Base-Base interactions energy: -120.217 where: short stacking energy: -58.735 Base-Backbone interact. energy: -0.091 local terms energy: -71.654063 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -13.838 flat angles C4'-P-C4' energy: -14.477 flat angles P-C4'-P energy: -13.827 tors. eta vs tors. theta energy: -15.228 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: 6 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -181.801424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.801424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.801424 (E_RNA) where: Base-Base interactions energy: -120.889 where: short stacking energy: -59.351 Base-Backbone interact. energy: -0.005 local terms energy: -60.907723 where: bonds (distance) C4'-P energy: -8.231 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -13.799 flat angles P-C4'-P energy: -4.221 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: 3 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -170.641350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.641350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.641350 (E_RNA) where: Base-Base interactions energy: -109.973 where: short stacking energy: -42.967 Base-Backbone interact. energy: -0.201 local terms energy: -60.468020 where: bonds (distance) C4'-P energy: -14.411 bonds (distance) P-C4' energy: -15.773 flat angles C4'-P-C4' energy: -10.146 flat angles P-C4'-P energy: -7.906 tors. eta vs tors. theta energy: -12.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -163.794268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.794268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.794268 (E_RNA) where: Base-Base interactions energy: -98.626 where: short stacking energy: -54.717 Base-Backbone interact. energy: -0.697 local terms energy: -64.471486 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -11.504 flat angles C4'-P-C4' energy: -13.978 flat angles P-C4'-P energy: -10.542 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: 128 Temperature: 1.100000 Total energy: -95.156818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.156818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.156818 (E_RNA) where: Base-Base interactions energy: -54.780 where: short stacking energy: -27.436 Base-Backbone interact. energy: 1.169 local terms energy: -41.545162 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -8.529 tors. eta vs tors. theta energy: 3.412 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: 128 Temperature: 1.150000 Total energy: -104.637046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.637046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.637046 (E_RNA) where: Base-Base interactions energy: -55.992 where: short stacking energy: -35.564 Base-Backbone interact. energy: -0.008 local terms energy: -48.637609 where: bonds (distance) C4'-P energy: -10.900 bonds (distance) P-C4' energy: -14.845 flat angles C4'-P-C4' energy: -11.101 flat angles P-C4'-P energy: -5.556 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: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -77.648857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.648857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.648857 (E_RNA) where: Base-Base interactions energy: -32.933 where: short stacking energy: -22.475 Base-Backbone interact. energy: -0.121 local terms energy: -44.595556 where: bonds (distance) C4'-P energy: -10.689 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -9.207 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -73.100784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.100784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.100784 (E_RNA) where: Base-Base interactions energy: -30.279 where: short stacking energy: -25.664 Base-Backbone interact. energy: -0.184 local terms energy: -42.638185 where: bonds (distance) C4'-P energy: -10.248 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -13.061 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: 1.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -93.344388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.344388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.344388 (E_RNA) where: Base-Base interactions energy: -41.880 where: short stacking energy: -23.494 Base-Backbone interact. energy: -0.377 local terms energy: -51.087443 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -14.027 flat angles C4'-P-C4' energy: -10.759 flat angles P-C4'-P energy: -9.987 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -73.725898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.725898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.725898 (E_RNA) where: Base-Base interactions energy: -30.584 where: short stacking energy: -28.645 Base-Backbone interact. energy: -0.133 local terms energy: -43.008809 where: bonds (distance) C4'-P energy: -11.220 bonds (distance) P-C4' energy: -11.945 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -185.285558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.285558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.285558 (E_RNA) where: Base-Base interactions energy: -115.683 where: short stacking energy: -63.313 Base-Backbone interact. energy: -0.449 local terms energy: -69.153492 where: bonds (distance) C4'-P energy: -14.610 bonds (distance) P-C4' energy: -14.969 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -16.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -178.253596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.253596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.253596 (E_RNA) where: Base-Base interactions energy: -113.333 where: short stacking energy: -43.435 Base-Backbone interact. energy: -0.336 local terms energy: -64.584210 where: bonds (distance) C4'-P energy: -15.550 bonds (distance) P-C4' energy: -14.043 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -12.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -175.599820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.599820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.599820 (E_RNA) where: Base-Base interactions energy: -111.138 where: short stacking energy: -53.051 Base-Backbone interact. energy: -1.014 local terms energy: -63.447247 where: bonds (distance) C4'-P energy: -10.503 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -14.698 flat angles P-C4'-P energy: -11.957 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: 4, replica: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -106.955394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.955394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.955394 (E_RNA) where: Base-Base interactions energy: -49.356 where: short stacking energy: -37.277 Base-Backbone interact. energy: -0.041 local terms energy: -57.557725 where: bonds (distance) C4'-P energy: -13.696 bonds (distance) P-C4' energy: -13.411 flat angles C4'-P-C4' energy: -10.908 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -9.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -158.683142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.683142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.683142 (E_RNA) where: Base-Base interactions energy: -101.039 where: short stacking energy: -46.402 Base-Backbone interact. energy: -0.314 local terms energy: -57.329630 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -12.216 flat angles P-C4'-P energy: -5.578 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: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -96.985442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.985442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.985442 (E_RNA) where: Base-Base interactions energy: -49.138 where: short stacking energy: -30.941 Base-Backbone interact. energy: 0.202 local terms energy: -48.049093 where: bonds (distance) C4'-P energy: -10.550 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -14.587 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -0.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -90.098522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.098522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.098522 (E_RNA) where: Base-Base interactions energy: -40.568 where: short stacking energy: -17.919 Base-Backbone interact. energy: -0.091 local terms energy: -49.439459 where: bonds (distance) C4'-P energy: -11.672 bonds (distance) P-C4' energy: -10.654 flat angles C4'-P-C4' energy: -16.207 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -67.789342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.789342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.789342 (E_RNA) where: Base-Base interactions energy: -21.592 where: short stacking energy: -18.988 Base-Backbone interact. energy: -0.166 local terms energy: -46.030780 where: bonds (distance) C4'-P energy: -10.747 bonds (distance) P-C4' energy: -11.663 flat angles C4'-P-C4' energy: -10.258 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -4.723 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: 9, replica: 10 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -73.031661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.031661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.031661 (E_RNA) where: Base-Base interactions energy: -23.089 where: short stacking energy: -23.089 Base-Backbone interact. energy: 2.149 local terms energy: -52.092011 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -15.705 flat angles P-C4'-P energy: -7.897 tors. eta vs tors. theta energy: -1.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -65.215964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.215964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.215964 (E_RNA) where: Base-Base interactions energy: -25.475 where: short stacking energy: -20.071 Base-Backbone interact. energy: -0.209 local terms energy: -39.532240 where: bonds (distance) C4'-P energy: -8.682 bonds (distance) P-C4' energy: -11.637 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -10.716 tors. eta vs tors. theta energy: -0.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -188.991670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.991670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.991670 (E_RNA) where: Base-Base interactions energy: -130.962 where: short stacking energy: -46.220 Base-Backbone interact. energy: -0.150 local terms energy: -57.879652 where: bonds (distance) C4'-P energy: -12.114 bonds (distance) P-C4' energy: -13.429 flat angles C4'-P-C4' energy: -12.288 flat angles P-C4'-P energy: -5.277 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: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -183.116989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.116989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.116989 (E_RNA) where: Base-Base interactions energy: -119.876 where: short stacking energy: -54.640 Base-Backbone interact. energy: -0.207 local terms energy: -63.033867 where: bonds (distance) C4'-P energy: -11.716 bonds (distance) P-C4' energy: -14.546 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -9.208 tors. eta vs tors. theta energy: -13.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -169.921858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.921858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.921858 (E_RNA) where: Base-Base interactions energy: -108.634 where: short stacking energy: -45.094 Base-Backbone interact. energy: -0.221 local terms energy: -61.066777 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -11.403 flat angles P-C4'-P energy: -8.047 tors. eta vs tors. theta energy: -11.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -96.890826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.890826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.890826 (E_RNA) where: Base-Base interactions energy: -44.942 where: short stacking energy: -35.843 Base-Backbone interact. energy: -0.004 local terms energy: -51.945037 where: bonds (distance) C4'-P energy: -14.119 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -6.556 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: 1 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -159.486747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.486747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.486747 (E_RNA) where: Base-Base interactions energy: -93.205 where: short stacking energy: -57.338 Base-Backbone interact. energy: -0.064 local terms energy: -66.217186 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -9.591 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: 8 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -87.642208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.642208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.642208 (E_RNA) where: Base-Base interactions energy: -33.728 where: short stacking energy: -32.843 Base-Backbone interact. energy: -0.009 local terms energy: -53.905366 where: bonds (distance) C4'-P energy: -14.779 bonds (distance) P-C4' energy: -12.384 flat angles C4'-P-C4' energy: -12.024 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -6.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -114.240989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.240989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.240989 (E_RNA) where: Base-Base interactions energy: -60.054 where: short stacking energy: -38.162 Base-Backbone interact. energy: -0.135 local terms energy: -54.051516 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -8.614 flat angles C4'-P-C4' energy: -16.655 flat angles P-C4'-P energy: -11.255 tors. eta vs tors. theta energy: -5.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -76.126793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.126793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.126793 (E_RNA) where: Base-Base interactions energy: -25.942 where: short stacking energy: -25.942 Base-Backbone interact. energy: -0.114 local terms energy: -50.070899 where: bonds (distance) C4'-P energy: -7.346 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -12.409 flat angles P-C4'-P energy: -8.884 tors. eta vs tors. theta energy: -5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -80.701682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.701682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.701682 (E_RNA) where: Base-Base interactions energy: -36.319 where: short stacking energy: -26.136 Base-Backbone interact. energy: -0.108 local terms energy: -44.274192 where: bonds (distance) C4'-P energy: -9.142 bonds (distance) P-C4' energy: -10.109 flat angles C4'-P-C4' energy: -10.773 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -6.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -90.995929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.995929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.995929 (E_RNA) where: Base-Base interactions energy: -35.309 where: short stacking energy: -35.309 Base-Backbone interact. energy: -0.063 local terms energy: -55.623939 where: bonds (distance) C4'-P energy: -11.755 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -15.696 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -4.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -193.086973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.086973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.086973 (E_RNA) where: Base-Base interactions energy: -127.339 where: short stacking energy: -51.523 Base-Backbone interact. energy: -0.300 local terms energy: -65.447765 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -11.665 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -17.798 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: 2, replica: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -182.256524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.256524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.256524 (E_RNA) where: Base-Base interactions energy: -116.909 where: short stacking energy: -60.513 Base-Backbone interact. energy: -1.415 local terms energy: -63.932624 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -11.108 flat angles C4'-P-C4' energy: -11.742 flat angles P-C4'-P energy: -10.743 tors. eta vs tors. theta energy: -16.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -170.725882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.725882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.725882 (E_RNA) where: Base-Base interactions energy: -106.080 where: short stacking energy: -59.825 Base-Backbone interact. energy: -0.109 local terms energy: -64.537074 where: bonds (distance) C4'-P energy: -11.803 bonds (distance) P-C4' energy: -16.302 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -7.877 tors. eta vs tors. theta energy: -13.327 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: 1 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -166.399069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.399069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.399069 (E_RNA) where: Base-Base interactions energy: -111.732 where: short stacking energy: -53.277 Base-Backbone interact. energy: -0.282 local terms energy: -54.385641 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -11.418 flat angles P-C4'-P energy: -9.579 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: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -85.857224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.857224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.857224 (E_RNA) where: Base-Base interactions energy: -37.719 where: short stacking energy: -24.385 Base-Backbone interact. energy: -0.331 local terms energy: -47.807283 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -10.048 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: -2.963 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: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -120.466814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.466814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.466814 (E_RNA) where: Base-Base interactions energy: -68.069 where: short stacking energy: -38.851 Base-Backbone interact. energy: -1.267 local terms energy: -51.131398 where: bonds (distance) C4'-P energy: -10.784 bonds (distance) P-C4' energy: -11.476 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -8.526 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: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -114.269186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.269186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.269186 (E_RNA) where: Base-Base interactions energy: -56.556 where: short stacking energy: -33.334 Base-Backbone interact. energy: 0.091 local terms energy: -57.803890 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -15.299 flat angles P-C4'-P energy: -8.474 tors. eta vs tors. theta energy: -8.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -93.611970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.611970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.611970 (E_RNA) where: Base-Base interactions energy: -45.387 where: short stacking energy: -26.983 Base-Backbone interact. energy: -0.364 local terms energy: -47.861916 where: bonds (distance) C4'-P energy: -16.142 bonds (distance) P-C4' energy: -10.263 flat angles C4'-P-C4' energy: -10.278 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: -5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -107.973277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.973277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.973277 (E_RNA) where: Base-Base interactions energy: -66.390 where: short stacking energy: -23.650 Base-Backbone interact. energy: -0.589 local terms energy: -40.993746 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -12.899 flat angles P-C4'-P energy: -7.019 tors. eta vs tors. theta energy: 1.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -67.383261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.383261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.383261 (E_RNA) where: Base-Base interactions energy: -19.610 where: short stacking energy: -13.953 Base-Backbone interact. energy: 0.274 local terms energy: -48.047586 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -10.557 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -10.823 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -190.253908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.253908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.253908 (E_RNA) where: Base-Base interactions energy: -133.423 where: short stacking energy: -55.855 Base-Backbone interact. energy: -0.583 local terms energy: -56.247501 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -14.129 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -11.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -170.594067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.594067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.594067 (E_RNA) where: Base-Base interactions energy: -99.716 where: short stacking energy: -52.328 Base-Backbone interact. energy: -0.308 local terms energy: -70.569929 where: bonds (distance) C4'-P energy: -15.488 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -14.178 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -16.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -176.823432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.823432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.823432 (E_RNA) where: Base-Base interactions energy: -109.137 where: short stacking energy: -60.675 Base-Backbone interact. energy: -0.062 local terms energy: -67.624437 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -13.418 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -16.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -163.464171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.464171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.464171 (E_RNA) where: Base-Base interactions energy: -107.031 where: short stacking energy: -50.497 Base-Backbone interact. energy: -0.079 local terms energy: -56.354260 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -11.509 flat angles C4'-P-C4' energy: -13.339 flat angles P-C4'-P energy: -2.336 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: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -113.802640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.802640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.802640 (E_RNA) where: Base-Base interactions energy: -61.080 where: short stacking energy: -37.175 Base-Backbone interact. energy: -0.380 local terms energy: -52.342668 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -8.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -97.418288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.418288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.418288 (E_RNA) where: Base-Base interactions energy: -46.655 where: short stacking energy: -36.821 Base-Backbone interact. energy: 0.576 local terms energy: -51.339457 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -14.238 flat angles C4'-P-C4' energy: -12.938 flat angles P-C4'-P energy: -7.784 tors. eta vs tors. theta energy: -7.226 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: 7, replica: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -84.704519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.704519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.704519 (E_RNA) where: Base-Base interactions energy: -33.823 where: short stacking energy: -32.406 Base-Backbone interact. energy: 0.005 local terms energy: -50.885801 where: bonds (distance) C4'-P energy: -11.224 bonds (distance) P-C4' energy: -11.906 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: -7.199 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: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -76.535520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.535520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.535520 (E_RNA) where: Base-Base interactions energy: -36.076 where: short stacking energy: -19.847 Base-Backbone interact. energy: -0.212 local terms energy: -40.247476 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -12.886 flat angles C4'-P-C4' energy: -11.425 flat angles P-C4'-P energy: -4.839 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: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -84.476749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.476749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.476749 (E_RNA) where: Base-Base interactions energy: -40.127 where: short stacking energy: -40.127 Base-Backbone interact. energy: -0.293 local terms energy: -44.056688 where: bonds (distance) C4'-P energy: -6.828 bonds (distance) P-C4' energy: -11.226 flat angles C4'-P-C4' energy: -10.097 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -12.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -70.954259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.954259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.954259 (E_RNA) where: Base-Base interactions energy: -21.528 where: short stacking energy: -11.387 Base-Backbone interact. energy: -0.355 local terms energy: -49.071127 where: bonds (distance) C4'-P energy: -14.862 bonds (distance) P-C4' energy: -16.024 flat angles C4'-P-C4' energy: -10.517 flat angles P-C4'-P energy: -7.531 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: 1, replica: 6 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -191.917610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.917610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.917610 (E_RNA) where: Base-Base interactions energy: -127.855 where: short stacking energy: -57.549 Base-Backbone interact. energy: -0.245 local terms energy: -63.817244 where: bonds (distance) C4'-P energy: -11.332 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -8.689 tors. eta vs tors. theta energy: -14.868 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: 1 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -183.812414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.812414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.812414 (E_RNA) where: Base-Base interactions energy: -116.327 where: short stacking energy: -62.683 Base-Backbone interact. energy: -0.406 local terms energy: -67.079303 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -19.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -173.734608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.734608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.734608 (E_RNA) where: Base-Base interactions energy: -110.578 where: short stacking energy: -59.236 Base-Backbone interact. energy: -0.001 local terms energy: -63.155901 where: bonds (distance) C4'-P energy: -11.310 bonds (distance) P-C4' energy: -12.282 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -17.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -175.575193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.575193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.575193 (E_RNA) where: Base-Base interactions energy: -110.829 where: short stacking energy: -50.410 Base-Backbone interact. energy: -0.596 local terms energy: -64.150024 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -6.144 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: 5, replica: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -99.475485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.475485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.475485 (E_RNA) where: Base-Base interactions energy: -46.839 where: short stacking energy: -26.604 Base-Backbone interact. energy: -0.731 local terms energy: -51.904889 where: bonds (distance) C4'-P energy: -12.970 bonds (distance) P-C4' energy: -13.029 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -5.052 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: 8 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -83.762681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.762681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.762681 (E_RNA) where: Base-Base interactions energy: -27.265 where: short stacking energy: -27.036 Base-Backbone interact. energy: -0.084 local terms energy: -56.413757 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -15.220 flat angles C4'-P-C4' energy: -14.512 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -8.033 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: 133 Temperature: 1.200000 Total energy: -81.338809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.338809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.338809 (E_RNA) where: Base-Base interactions energy: -32.671 where: short stacking energy: -32.671 Base-Backbone interact. energy: -0.006 local terms energy: -48.661016 where: bonds (distance) C4'-P energy: -11.455 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -11.789 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: -8.195 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: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -101.113464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.113464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.113464 (E_RNA) where: Base-Base interactions energy: -48.451 where: short stacking energy: -33.442 Base-Backbone interact. energy: 2.510 local terms energy: -55.172888 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -13.322 flat angles C4'-P-C4' energy: -10.529 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -7.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -68.377047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.377047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.377047 (E_RNA) where: Base-Base interactions energy: -23.768 where: short stacking energy: -22.769 Base-Backbone interact. energy: -0.019 local terms energy: -44.590581 where: bonds (distance) C4'-P energy: -13.514 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -9.390 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -69.661101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.661101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.661101 (E_RNA) where: Base-Base interactions energy: -26.408 where: short stacking energy: -26.408 Base-Backbone interact. energy: -0.010 local terms energy: -43.243918 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -0.725 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: 1, replica: 6 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -186.166038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.166038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.166038 (E_RNA) where: Base-Base interactions energy: -117.189 where: short stacking energy: -52.266 Base-Backbone interact. energy: -0.633 local terms energy: -68.344668 where: bonds (distance) C4'-P energy: -14.942 bonds (distance) P-C4' energy: -14.254 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -10.227 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: 2, replica: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -184.256978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.256978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.256978 (E_RNA) where: Base-Base interactions energy: -118.301 where: short stacking energy: -51.289 Base-Backbone interact. energy: -1.145 local terms energy: -64.811788 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -11.411 tors. eta vs tors. theta energy: -12.414 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: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -178.599231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.599231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.599231 (E_RNA) where: Base-Base interactions energy: -109.531 where: short stacking energy: -54.268 Base-Backbone interact. energy: -0.594 local terms energy: -68.474426 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -14.535 flat angles C4'-P-C4' energy: -12.646 flat angles P-C4'-P energy: -12.126 tors. eta vs tors. theta energy: -15.345 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: 7 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -164.232644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.232644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.232644 (E_RNA) where: Base-Base interactions energy: -98.910 where: short stacking energy: -48.158 Base-Backbone interact. energy: -1.272 local terms energy: -64.049677 where: bonds (distance) C4'-P energy: -14.870 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -7.105 tors. eta vs tors. theta energy: -15.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -87.031733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.031733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.031733 (E_RNA) where: Base-Base interactions energy: -36.966 where: short stacking energy: -35.985 Base-Backbone interact. energy: -0.031 local terms energy: -50.035587 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -9.752 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -83.522975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.522975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.522975 (E_RNA) where: Base-Base interactions energy: -37.415 where: short stacking energy: -26.555 Base-Backbone interact. energy: -0.033 local terms energy: -46.074493 where: bonds (distance) C4'-P energy: -15.145 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -8.794 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -76.776851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.776851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.776851 (E_RNA) where: Base-Base interactions energy: -31.167 where: short stacking energy: -25.010 Base-Backbone interact. energy: -0.162 local terms energy: -45.448298 where: bonds (distance) C4'-P energy: -10.901 bonds (distance) P-C4' energy: -12.046 flat angles C4'-P-C4' energy: -10.381 flat angles P-C4'-P energy: -10.465 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: 8, replica: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -78.962036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.962036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.962036 (E_RNA) where: Base-Base interactions energy: -33.350 where: short stacking energy: -30.997 Base-Backbone interact. energy: -0.122 local terms energy: -45.490463 where: bonds (distance) C4'-P energy: -12.842 bonds (distance) P-C4' energy: -7.984 flat angles C4'-P-C4' energy: -11.822 flat angles P-C4'-P energy: -8.825 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -75.522200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.522200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.522200 (E_RNA) where: Base-Base interactions energy: -23.031 where: short stacking energy: -20.046 Base-Backbone interact. energy: -1.338 local terms energy: -51.153698 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -69.812975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.812975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.812975 (E_RNA) where: Base-Base interactions energy: -26.365 where: short stacking energy: -7.658 Base-Backbone interact. energy: -0.034 local terms energy: -43.413988 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -14.096 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: 2.042 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: 1, replica: 6 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -186.276263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.276263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.276263 (E_RNA) where: Base-Base interactions energy: -123.142 where: short stacking energy: -58.780 Base-Backbone interact. energy: -0.071 local terms energy: -63.063524 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -15.562 flat angles C4'-P-C4' energy: -10.248 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -15.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -183.046874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.046874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.046874 (E_RNA) where: Base-Base interactions energy: -117.887 where: short stacking energy: -61.553 Base-Backbone interact. energy: -0.002 local terms energy: -65.157782 where: bonds (distance) C4'-P energy: -12.963 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -15.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -177.884143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.884143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.884143 (E_RNA) where: Base-Base interactions energy: -113.994 where: short stacking energy: -51.705 Base-Backbone interact. energy: -0.121 local terms energy: -63.769249 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -9.987 tors. eta vs tors. theta energy: -11.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -162.892353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.892353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.892353 (E_RNA) where: Base-Base interactions energy: -95.297 where: short stacking energy: -50.810 Base-Backbone interact. energy: -2.384 local terms energy: -65.211483 where: bonds (distance) C4'-P energy: -10.633 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -14.732 flat angles P-C4'-P energy: -9.406 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: 5, replica: 8 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -126.818456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.818456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.818456 (E_RNA) where: Base-Base interactions energy: -70.367 where: short stacking energy: -38.358 Base-Backbone interact. energy: 0.283 local terms energy: -56.734490 where: bonds (distance) C4'-P energy: -12.387 bonds (distance) P-C4' energy: -11.015 flat angles C4'-P-C4' energy: -13.230 flat angles P-C4'-P energy: -10.392 tors. eta vs tors. theta energy: -9.711 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: 135 Temperature: 1.150000 Total energy: -87.327490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.327490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.327490 (E_RNA) where: Base-Base interactions energy: -38.129 where: short stacking energy: -28.730 Base-Backbone interact. energy: 1.654 local terms energy: -50.852488 where: bonds (distance) C4'-P energy: -13.509 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -10.069 flat angles P-C4'-P energy: -8.036 tors. eta vs tors. theta energy: -5.237 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: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -77.256508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.256508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.256508 (E_RNA) where: Base-Base interactions energy: -28.728 where: short stacking energy: -19.176 Base-Backbone interact. energy: -0.301 local terms energy: -48.227924 where: bonds (distance) C4'-P energy: -13.262 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -9.048 tors. eta vs tors. theta energy: 2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -72.236306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.236306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.236306 (E_RNA) where: Base-Base interactions energy: -28.164 where: short stacking energy: -28.164 Base-Backbone interact. energy: -0.070 local terms energy: -44.002220 where: bonds (distance) C4'-P energy: -9.249 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: 0.450 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: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -76.454769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.454769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.454769 (E_RNA) where: Base-Base interactions energy: -28.265 where: short stacking energy: -22.509 Base-Backbone interact. energy: -0.244 local terms energy: -47.945611 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -14.151 flat angles C4'-P-C4' energy: -9.010 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: -3.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -69.106025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.106025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.106025 (E_RNA) where: Base-Base interactions energy: -20.775 where: short stacking energy: -18.899 Base-Backbone interact. energy: -0.057 local terms energy: -48.273928 where: bonds (distance) C4'-P energy: -8.938 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -13.828 flat angles P-C4'-P energy: -9.684 tors. eta vs tors. theta energy: -0.966 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: 1, replica: 6 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -191.163197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.163197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.163197 (E_RNA) where: Base-Base interactions energy: -125.923 where: short stacking energy: -52.175 Base-Backbone interact. energy: -0.708 local terms energy: -64.531991 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -14.046 flat angles C4'-P-C4' energy: -17.381 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -14.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -179.227617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.227617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.227617 (E_RNA) where: Base-Base interactions energy: -113.740 where: short stacking energy: -60.927 Base-Backbone interact. energy: -1.134 local terms energy: -64.353684 where: bonds (distance) C4'-P energy: -11.915 bonds (distance) P-C4' energy: -16.914 flat angles C4'-P-C4' energy: -14.792 flat angles P-C4'-P energy: -4.696 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: 3, replica: 1 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -167.799978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.799978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.799978 (E_RNA) where: Base-Base interactions energy: -105.256 where: short stacking energy: -53.619 Base-Backbone interact. energy: -0.092 local terms energy: -62.452021 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -14.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -162.819292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.819292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.819292 (E_RNA) where: Base-Base interactions energy: -97.863 where: short stacking energy: -53.067 Base-Backbone interact. energy: -0.157 local terms energy: -64.798656 where: bonds (distance) C4'-P energy: -16.159 bonds (distance) P-C4' energy: -11.970 flat angles C4'-P-C4' energy: -13.302 flat angles P-C4'-P energy: -9.630 tors. eta vs tors. theta energy: -13.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -142.003760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.003760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.003760 (E_RNA) where: Base-Base interactions energy: -83.120 where: short stacking energy: -48.240 Base-Backbone interact. energy: -0.036 local terms energy: -58.847606 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -12.550 flat angles C4'-P-C4' energy: -13.877 flat angles P-C4'-P energy: -7.461 tors. eta vs tors. theta energy: -11.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -100.128701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.128701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.128701 (E_RNA) where: Base-Base interactions energy: -49.334 where: short stacking energy: -26.662 Base-Backbone interact. energy: -0.061 local terms energy: -50.734198 where: bonds (distance) C4'-P energy: -11.930 bonds (distance) P-C4' energy: -15.971 flat angles C4'-P-C4' energy: -10.510 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -5.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -81.589477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.589477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.589477 (E_RNA) where: Base-Base interactions energy: -33.747 where: short stacking energy: -16.395 Base-Backbone interact. energy: -0.399 local terms energy: -47.443816 where: bonds (distance) C4'-P energy: -10.802 bonds (distance) P-C4' energy: -12.621 flat angles C4'-P-C4' energy: -10.871 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -73.199183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.199183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.199183 (E_RNA) where: Base-Base interactions energy: -30.121 where: short stacking energy: -24.144 Base-Backbone interact. energy: -0.126 local terms energy: -42.952503 where: bonds (distance) C4'-P energy: -9.952 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -1.204 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: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -68.682818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.682818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.682818 (E_RNA) where: Base-Base interactions energy: -24.723 where: short stacking energy: -24.723 Base-Backbone interact. energy: -0.118 local terms energy: -43.841812 where: bonds (distance) C4'-P energy: -9.315 bonds (distance) P-C4' energy: -16.446 flat angles C4'-P-C4' energy: -9.177 flat angles P-C4'-P energy: -6.175 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -73.283282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.283282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.283282 (E_RNA) where: Base-Base interactions energy: -26.433 where: short stacking energy: -25.323 Base-Backbone interact. energy: 0.925 local terms energy: -47.775455 where: bonds (distance) C4'-P energy: -12.060 bonds (distance) P-C4' energy: -15.583 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -10.451 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -189.045511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.045511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.045511 (E_RNA) where: Base-Base interactions energy: -124.042 where: short stacking energy: -54.102 Base-Backbone interact. energy: -0.035 local terms energy: -64.968148 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -12.721 flat angles C4'-P-C4' energy: -14.734 flat angles P-C4'-P energy: -7.353 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: 2, replica: 3 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -176.172735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.172735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.172735 (E_RNA) where: Base-Base interactions energy: -114.085 where: short stacking energy: -54.453 Base-Backbone interact. energy: -0.004 local terms energy: -62.083954 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -7.827 tors. eta vs tors. theta energy: -13.670 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: 1 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -171.216304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.216304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.216304 (E_RNA) where: Base-Base interactions energy: -106.004 where: short stacking energy: -53.316 Base-Backbone interact. energy: -0.001 local terms energy: -65.211018 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -13.237 flat angles P-C4'-P energy: -3.314 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: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -163.027779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.027779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.027779 (E_RNA) where: Base-Base interactions energy: -97.417 where: short stacking energy: -56.051 Base-Backbone interact. energy: -0.502 local terms energy: -65.108510 where: bonds (distance) C4'-P energy: -14.575 bonds (distance) P-C4' energy: -11.685 flat angles C4'-P-C4' energy: -14.142 flat angles P-C4'-P energy: -9.881 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: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -137.505832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.505832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.505832 (E_RNA) where: Base-Base interactions energy: -90.062 where: short stacking energy: -29.109 Base-Backbone interact. energy: -0.365 local terms energy: -47.079445 where: bonds (distance) C4'-P energy: -8.637 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -11.302 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -4.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -108.474856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.474856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.474856 (E_RNA) where: Base-Base interactions energy: -52.731 where: short stacking energy: -28.919 Base-Backbone interact. energy: -0.095 local terms energy: -55.648744 where: bonds (distance) C4'-P energy: -15.483 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -11.757 flat angles P-C4'-P energy: -7.475 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -93.260663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.260663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.260663 (E_RNA) where: Base-Base interactions energy: -39.610 where: short stacking energy: -29.062 Base-Backbone interact. energy: 3.403 local terms energy: -57.053969 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -10.380 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -80.190350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.190350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.190350 (E_RNA) where: Base-Base interactions energy: -41.748 where: short stacking energy: -27.897 Base-Backbone interact. energy: -0.039 local terms energy: -38.403302 where: bonds (distance) C4'-P energy: -11.095 bonds (distance) P-C4' energy: -11.319 flat angles C4'-P-C4' energy: -6.798 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: -1.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -76.803954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.803954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.803954 (E_RNA) where: Base-Base interactions energy: -35.452 where: short stacking energy: -25.045 Base-Backbone interact. energy: -0.156 local terms energy: -41.195516 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -9.569 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -70.203427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.203427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.203427 (E_RNA) where: Base-Base interactions energy: -21.160 where: short stacking energy: -11.522 Base-Backbone interact. energy: -0.657 local terms energy: -48.386870 where: bonds (distance) C4'-P energy: -15.661 bonds (distance) P-C4' energy: -12.375 flat angles C4'-P-C4' energy: -11.845 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: -1.148 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: 6 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -197.587511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.587511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.587511 (E_RNA) where: Base-Base interactions energy: -131.576 where: short stacking energy: -56.503 Base-Backbone interact. energy: -0.078 local terms energy: -65.934431 where: bonds (distance) C4'-P energy: -14.189 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -11.628 flat angles P-C4'-P energy: -11.085 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: 2, replica: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -173.198007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.198007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.198007 (E_RNA) where: Base-Base interactions energy: -112.415 where: short stacking energy: -54.946 Base-Backbone interact. energy: -0.190 local terms energy: -60.593110 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -9.441 flat angles C4'-P-C4' energy: -14.230 flat angles P-C4'-P energy: -10.708 tors. eta vs tors. theta energy: -11.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -181.243098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.243098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.243098 (E_RNA) where: Base-Base interactions energy: -124.264 where: short stacking energy: -46.248 Base-Backbone interact. energy: -1.182 local terms energy: -55.796427 where: bonds (distance) C4'-P energy: -11.361 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -12.670 flat angles P-C4'-P energy: -6.455 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: 4, replica: 7 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -171.805128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.805128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.805128 (E_RNA) where: Base-Base interactions energy: -109.217 where: short stacking energy: -52.797 Base-Backbone interact. energy: -0.227 local terms energy: -62.360916 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -8.674 flat angles C4'-P-C4' energy: -14.008 flat angles P-C4'-P energy: -10.901 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: 5, replica: 8 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -143.066819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.066819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.066819 (E_RNA) where: Base-Base interactions energy: -86.094 where: short stacking energy: -49.481 Base-Backbone interact. energy: -0.298 local terms energy: -56.674174 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -11.369 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -12.009 tors. eta vs tors. theta energy: -12.176 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: 4 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -104.654082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.654082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.654082 (E_RNA) where: Base-Base interactions energy: -56.076 where: short stacking energy: -32.085 Base-Backbone interact. energy: -0.212 local terms energy: -48.365765 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -13.467 flat angles C4'-P-C4' energy: -15.768 flat angles P-C4'-P energy: -0.935 tors. eta vs tors. theta energy: -8.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -90.703057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.703057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.703057 (E_RNA) where: Base-Base interactions energy: -49.236 where: short stacking energy: -21.943 Base-Backbone interact. energy: -0.411 local terms energy: -41.055832 where: bonds (distance) C4'-P energy: -8.584 bonds (distance) P-C4' energy: -8.657 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -8.692 tors. eta vs tors. theta energy: -2.250 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: 8, replica: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -81.350805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.350805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.350805 (E_RNA) where: Base-Base interactions energy: -43.216 where: short stacking energy: -25.168 Base-Backbone interact. energy: -0.047 local terms energy: -38.087305 where: bonds (distance) C4'-P energy: -8.185 bonds (distance) P-C4' energy: -12.266 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -4.240 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: 10 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -70.065773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.065773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.065773 (E_RNA) where: Base-Base interactions energy: -24.560 where: short stacking energy: -24.560 Base-Backbone interact. energy: -0.132 local terms energy: -45.373208 where: bonds (distance) C4'-P energy: -15.856 bonds (distance) P-C4' energy: -8.169 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -10.804 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: 10, replica: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -70.765918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.765918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.765918 (E_RNA) where: Base-Base interactions energy: -31.290 where: short stacking energy: -24.108 Base-Backbone interact. energy: -0.461 local terms energy: -39.014955 where: bonds (distance) C4'-P energy: -10.715 bonds (distance) P-C4' energy: -11.814 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -9.809 tors. eta vs tors. theta energy: 0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -197.831141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.831141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.831141 (E_RNA) where: Base-Base interactions energy: -134.798 where: short stacking energy: -51.005 Base-Backbone interact. energy: -1.035 local terms energy: -61.998653 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -16.287 flat angles C4'-P-C4' energy: -16.323 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -11.909 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: 2, replica: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -176.721455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.721455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.721455 (E_RNA) where: Base-Base interactions energy: -111.881 where: short stacking energy: -57.756 Base-Backbone interact. energy: -0.071 local terms energy: -64.769061 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -14.912 flat angles C4'-P-C4' energy: -13.816 flat angles P-C4'-P energy: -5.987 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: 3, replica: 1 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -191.909912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.909912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.909912 (E_RNA) where: Base-Base interactions energy: -132.676 where: short stacking energy: -53.699 Base-Backbone interact. energy: -0.713 local terms energy: -58.521465 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -10.267 flat angles P-C4'-P energy: -8.570 tors. eta vs tors. theta energy: -13.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -157.921818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.921818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.921818 (E_RNA) where: Base-Base interactions energy: -101.607 where: short stacking energy: -47.704 Base-Backbone interact. energy: 0.555 local terms energy: -56.869506 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -10.830 flat angles P-C4'-P energy: -11.448 tors. eta vs tors. theta energy: -11.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -131.219401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.219401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.219401 (E_RNA) where: Base-Base interactions energy: -74.651 where: short stacking energy: -36.777 Base-Backbone interact. energy: 1.406 local terms energy: -57.974763 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -9.617 tors. eta vs tors. theta energy: -7.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -74.472551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.472551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.472551 (E_RNA) where: Base-Base interactions energy: -31.702 where: short stacking energy: -17.932 Base-Backbone interact. energy: -0.171 local terms energy: -42.599315 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -12.848 flat angles C4'-P-C4' energy: -9.460 flat angles P-C4'-P energy: -8.106 tors. eta vs tors. theta energy: 0.902 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: 7, replica: 4 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -117.210662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.210662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.210662 (E_RNA) where: Base-Base interactions energy: -74.704 where: short stacking energy: -31.022 Base-Backbone interact. energy: -1.006 local terms energy: -41.500084 where: bonds (distance) C4'-P energy: -12.376 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -2.170 tors. eta vs tors. theta energy: -7.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -86.769954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.769954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.769954 (E_RNA) where: Base-Base interactions energy: -37.570 where: short stacking energy: -24.903 Base-Backbone interact. energy: 0.362 local terms energy: -49.562507 where: bonds (distance) C4'-P energy: -10.600 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -5.120 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: 10 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -76.016763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.016763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.016763 (E_RNA) where: Base-Base interactions energy: -29.196 where: short stacking energy: -29.196 Base-Backbone interact. energy: -0.185 local terms energy: -46.635668 where: bonds (distance) C4'-P energy: -11.478 bonds (distance) P-C4' energy: -11.514 flat angles C4'-P-C4' energy: -13.155 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -72.337807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.337807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.337807 (E_RNA) where: Base-Base interactions energy: -28.348 where: short stacking energy: -18.849 Base-Backbone interact. energy: -0.069 local terms energy: -43.921025 where: bonds (distance) C4'-P energy: -12.517 bonds (distance) P-C4' energy: -9.130 flat angles C4'-P-C4' energy: -10.873 flat angles P-C4'-P energy: -5.290 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: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -178.782493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.782493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.782493 (E_RNA) where: Base-Base interactions energy: -107.528 where: short stacking energy: -54.143 Base-Backbone interact. energy: -0.006 local terms energy: -71.248491 where: bonds (distance) C4'-P energy: -13.062 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -10.521 tors. eta vs tors. theta energy: -19.105 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: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -193.771048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.771048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.771048 (E_RNA) where: Base-Base interactions energy: -122.978 where: short stacking energy: -54.264 Base-Backbone interact. energy: -0.542 local terms energy: -70.250801 where: bonds (distance) C4'-P energy: -15.028 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -16.695 flat angles P-C4'-P energy: -10.193 tors. eta vs tors. theta energy: -11.935 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: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -174.135339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.135339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.135339 (E_RNA) where: Base-Base interactions energy: -113.558 where: short stacking energy: -44.008 Base-Backbone interact. energy: -0.928 local terms energy: -59.648967 where: bonds (distance) C4'-P energy: -13.617 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -15.733 flat angles P-C4'-P energy: -7.996 tors. eta vs tors. theta energy: -7.874 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: 7 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -161.244066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.244066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.244066 (E_RNA) where: Base-Base interactions energy: -106.809 where: short stacking energy: -57.825 Base-Backbone interact. energy: -0.059 local terms energy: -54.376177 where: bonds (distance) C4'-P energy: -10.644 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -8.915 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -15.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -133.908785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.908785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.908785 (E_RNA) where: Base-Base interactions energy: -75.790 where: short stacking energy: -42.268 Base-Backbone interact. energy: -0.005 local terms energy: -58.114003 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -12.445 flat angles C4'-P-C4' energy: -11.969 flat angles P-C4'-P energy: -8.002 tors. eta vs tors. theta energy: -12.238 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: 140 Temperature: 1.150000 Total energy: -99.553897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.553897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.553897 (E_RNA) where: Base-Base interactions energy: -40.537 where: short stacking energy: -40.537 Base-Backbone interact. energy: -0.014 local terms energy: -59.003053 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -8.708 flat angles C4'-P-C4' energy: -14.974 flat angles P-C4'-P energy: -8.360 tors. eta vs tors. theta energy: -14.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -130.803414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.803414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.803414 (E_RNA) where: Base-Base interactions energy: -81.260 where: short stacking energy: -41.618 Base-Backbone interact. energy: -0.102 local terms energy: -49.441610 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -13.285 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -7.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -67.326588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.326588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.326588 (E_RNA) where: Base-Base interactions energy: -22.793 where: short stacking energy: -18.027 Base-Backbone interact. energy: -1.055 local terms energy: -43.479091 where: bonds (distance) C4'-P energy: -9.846 bonds (distance) P-C4' energy: -15.181 flat angles C4'-P-C4' energy: -11.191 flat angles P-C4'-P energy: -6.773 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -74.338486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.338486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.338486 (E_RNA) where: Base-Base interactions energy: -34.865 where: short stacking energy: -28.416 Base-Backbone interact. energy: 0.735 local terms energy: -40.208814 where: bonds (distance) C4'-P energy: -13.413 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -8.768 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -74.448367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.448367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.448367 (E_RNA) where: Base-Base interactions energy: -24.675 where: short stacking energy: -24.675 Base-Backbone interact. energy: -0.004 local terms energy: -49.768707 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -183.585518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.585518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.585518 (E_RNA) where: Base-Base interactions energy: -116.441 where: short stacking energy: -56.346 Base-Backbone interact. energy: -0.008 local terms energy: -67.136672 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -7.483 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: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -186.079194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.079194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.079194 (E_RNA) where: Base-Base interactions energy: -124.087 where: short stacking energy: -48.828 Base-Backbone interact. energy: -0.109 local terms energy: -61.883156 where: bonds (distance) C4'-P energy: -15.343 bonds (distance) P-C4' energy: -12.122 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -7.032 tors. eta vs tors. theta energy: -13.114 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: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -183.368298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.368298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.368298 (E_RNA) where: Base-Base interactions energy: -128.386 where: short stacking energy: -42.772 Base-Backbone interact. energy: -0.571 local terms energy: -54.411136 where: bonds (distance) C4'-P energy: -12.007 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -12.052 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -11.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -166.358645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.358645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.358645 (E_RNA) where: Base-Base interactions energy: -103.552 where: short stacking energy: -46.333 Base-Backbone interact. energy: -0.573 local terms energy: -62.233211 where: bonds (distance) C4'-P energy: -10.979 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -15.473 flat angles P-C4'-P energy: -11.577 tors. eta vs tors. theta energy: -10.538 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: 8 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -142.308706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.308706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.308706 (E_RNA) where: Base-Base interactions energy: -87.882 where: short stacking energy: -46.379 Base-Backbone interact. energy: -0.114 local terms energy: -54.312806 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -12.483 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -7.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -126.714551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.714551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.714551 (E_RNA) where: Base-Base interactions energy: -68.477 where: short stacking energy: -38.936 Base-Backbone interact. energy: -0.003 local terms energy: -58.234399 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -11.095 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -10.613 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: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -84.308928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.308928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.308928 (E_RNA) where: Base-Base interactions energy: -38.989 where: short stacking energy: -20.170 Base-Backbone interact. energy: 1.217 local terms energy: -46.536652 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -11.438 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -76.034150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.034150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.034150 (E_RNA) where: Base-Base interactions energy: -30.574 where: short stacking energy: -25.364 Base-Backbone interact. energy: -0.681 local terms energy: -44.778953 where: bonds (distance) C4'-P energy: -8.657 bonds (distance) P-C4' energy: -17.362 flat angles C4'-P-C4' energy: -10.590 flat angles P-C4'-P energy: -5.574 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: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -67.116292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.116292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.116292 (E_RNA) where: Base-Base interactions energy: -27.982 where: short stacking energy: -18.510 Base-Backbone interact. energy: -0.121 local terms energy: -39.013950 where: bonds (distance) C4'-P energy: -11.555 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -10.977 flat angles P-C4'-P energy: -5.279 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: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -68.839070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.839070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.839070 (E_RNA) where: Base-Base interactions energy: -27.227 where: short stacking energy: -27.227 Base-Backbone interact. energy: -0.110 local terms energy: -41.501987 where: bonds (distance) C4'-P energy: -11.253 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -11.454 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: 0.161 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: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -184.871424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.871424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.871424 (E_RNA) where: Base-Base interactions energy: -117.654 where: short stacking energy: -51.999 Base-Backbone interact. energy: -0.196 local terms energy: -67.020621 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -15.464 flat angles P-C4'-P energy: -11.411 tors. eta vs tors. theta energy: -9.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -184.420505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.420505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.420505 (E_RNA) where: Base-Base interactions energy: -123.856 where: short stacking energy: -52.191 Base-Backbone interact. energy: -0.465 local terms energy: -60.099328 where: bonds (distance) C4'-P energy: -14.941 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -11.426 flat angles P-C4'-P energy: -6.569 tors. eta vs tors. theta energy: -12.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -173.005621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.005621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.005621 (E_RNA) where: Base-Base interactions energy: -106.429 where: short stacking energy: -53.530 Base-Backbone interact. energy: -1.418 local terms energy: -65.157865 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -15.353 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -11.802 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: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -173.401012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.401012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.401012 (E_RNA) where: Base-Base interactions energy: -120.849 where: short stacking energy: -43.640 Base-Backbone interact. energy: -0.346 local terms energy: -52.205307 where: bonds (distance) C4'-P energy: -8.120 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -15.686 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -7.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -131.352481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.352481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.352481 (E_RNA) where: Base-Base interactions energy: -75.183 where: short stacking energy: -34.737 Base-Backbone interact. energy: -0.062 local terms energy: -56.107971 where: bonds (distance) C4'-P energy: -12.587 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -10.760 flat angles P-C4'-P energy: -11.287 tors. eta vs tors. theta energy: -6.078 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: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -129.743024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.743024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.743024 (E_RNA) where: Base-Base interactions energy: -82.521 where: short stacking energy: -30.047 Base-Backbone interact. energy: -0.188 local terms energy: -47.034454 where: bonds (distance) C4'-P energy: -11.282 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -9.423 flat angles P-C4'-P energy: -7.510 tors. eta vs tors. theta energy: -4.869 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: 142 Temperature: 1.200000 Total energy: -80.064627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.064627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.064627 (E_RNA) where: Base-Base interactions energy: -25.843 where: short stacking energy: -25.843 Base-Backbone interact. energy: -0.264 local terms energy: -53.957323 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -13.829 flat angles C4'-P-C4' energy: -10.276 flat angles P-C4'-P energy: -10.563 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -107.983387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.983387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.983387 (E_RNA) where: Base-Base interactions energy: -61.209 where: short stacking energy: -38.318 Base-Backbone interact. energy: -0.192 local terms energy: -46.582244 where: bonds (distance) C4'-P energy: -10.032 bonds (distance) P-C4' energy: -13.599 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -9.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -71.671393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.671393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.671393 (E_RNA) where: Base-Base interactions energy: -20.463 where: short stacking energy: -19.827 Base-Backbone interact. energy: -0.018 local terms energy: -51.190262 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -9.896 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -76.054769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.054769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.054769 (E_RNA) where: Base-Base interactions energy: -30.794 where: short stacking energy: -27.782 Base-Backbone interact. energy: -0.254 local terms energy: -45.007063 where: bonds (distance) C4'-P energy: -10.599 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -8.799 tors. eta vs tors. theta energy: -3.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -188.269211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.269211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.269211 (E_RNA) where: Base-Base interactions energy: -120.402 where: short stacking energy: -51.412 Base-Backbone interact. energy: -1.030 local terms energy: -66.837342 where: bonds (distance) C4'-P energy: -14.428 bonds (distance) P-C4' energy: -15.435 flat angles C4'-P-C4' energy: -12.146 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -13.717 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: 2, replica: 7 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -168.876259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.876259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.876259 (E_RNA) where: Base-Base interactions energy: -101.878 where: short stacking energy: -52.738 Base-Backbone interact. energy: -0.114 local terms energy: -66.884977 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -14.754 flat angles P-C4'-P energy: -10.539 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: 6 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -170.562228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.562228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.562228 (E_RNA) where: Base-Base interactions energy: -104.351 where: short stacking energy: -45.440 Base-Backbone interact. energy: -0.099 local terms energy: -66.112190 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -11.157 tors. eta vs tors. theta energy: -11.754 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: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -169.768294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.768294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.768294 (E_RNA) where: Base-Base interactions energy: -111.369 where: short stacking energy: -52.135 Base-Backbone interact. energy: -0.120 local terms energy: -58.279400 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -10.709 flat angles C4'-P-C4' energy: -13.088 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -14.097 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: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -120.164075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.164075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.164075 (E_RNA) where: Base-Base interactions energy: -70.588 where: short stacking energy: -29.034 Base-Backbone interact. energy: -1.533 local terms energy: -48.043422 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -13.533 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -7.347 tors. eta vs tors. theta energy: 0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -83.429195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.429195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.429195 (E_RNA) where: Base-Base interactions energy: -29.669 where: short stacking energy: -29.101 Base-Backbone interact. energy: -0.298 local terms energy: -53.462337 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -9.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -112.624775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.624775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.624775 (E_RNA) where: Base-Base interactions energy: -60.004 where: short stacking energy: -28.900 Base-Backbone interact. energy: -0.082 local terms energy: -52.538914 where: bonds (distance) C4'-P energy: -10.755 bonds (distance) P-C4' energy: -8.925 flat angles C4'-P-C4' energy: -15.067 flat angles P-C4'-P energy: -9.908 tors. eta vs tors. theta energy: -7.884 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: 10 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -79.458876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.458876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.458876 (E_RNA) where: Base-Base interactions energy: -28.301 where: short stacking energy: -27.137 Base-Backbone interact. energy: -0.313 local terms energy: -50.844417 where: bonds (distance) C4'-P energy: -10.058 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -9.884 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: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -78.136506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.136506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.136506 (E_RNA) where: Base-Base interactions energy: -27.537 where: short stacking energy: -18.406 Base-Backbone interact. energy: -0.037 local terms energy: -50.562207 where: bonds (distance) C4'-P energy: -11.327 bonds (distance) P-C4' energy: -16.429 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -74.738110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.738110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.738110 (E_RNA) where: Base-Base interactions energy: -30.997 where: short stacking energy: -11.177 Base-Backbone interact. energy: 0.633 local terms energy: -44.373775 where: bonds (distance) C4'-P energy: -9.753 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -10.893 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -2.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -177.177796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.177796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.177796 (E_RNA) where: Base-Base interactions energy: -104.226 where: short stacking energy: -50.217 Base-Backbone interact. energy: -0.659 local terms energy: -72.292727 where: bonds (distance) C4'-P energy: -15.021 bonds (distance) P-C4' energy: -16.217 flat angles C4'-P-C4' energy: -16.044 flat angles P-C4'-P energy: -11.675 tors. eta vs tors. theta energy: -13.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -177.262908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.262908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.262908 (E_RNA) where: Base-Base interactions energy: -106.719 where: short stacking energy: -53.399 Base-Backbone interact. energy: -0.092 local terms energy: -70.451527 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -16.362 flat angles C4'-P-C4' energy: -14.608 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -15.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -170.785384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.785384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.785384 (E_RNA) where: Base-Base interactions energy: -110.263 where: short stacking energy: -44.399 Base-Backbone interact. energy: -0.231 local terms energy: -60.290915 where: bonds (distance) C4'-P energy: -13.463 bonds (distance) P-C4' energy: -11.209 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -11.642 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: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -164.758331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.758331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.758331 (E_RNA) where: Base-Base interactions energy: -107.333 where: short stacking energy: -49.494 Base-Backbone interact. energy: -0.311 local terms energy: -57.113996 where: bonds (distance) C4'-P energy: -10.486 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.157 flat angles P-C4'-P energy: -8.655 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: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -93.703778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.703778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.703778 (E_RNA) where: Base-Base interactions energy: -50.853 where: short stacking energy: -30.597 Base-Backbone interact. energy: 0.508 local terms energy: -43.358863 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -11.540 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -12.440 tors. eta vs tors. theta energy: -0.432 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: 144 Temperature: 1.150000 Total energy: -129.560258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.560258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.560258 (E_RNA) where: Base-Base interactions energy: -67.255 where: short stacking energy: -27.288 Base-Backbone interact. energy: 2.221 local terms energy: -64.526426 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -16.967 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -9.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -117.984003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.984003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.984003 (E_RNA) where: Base-Base interactions energy: -67.685 where: short stacking energy: -36.015 Base-Backbone interact. energy: -0.611 local terms energy: -49.688482 where: bonds (distance) C4'-P energy: -10.880 bonds (distance) P-C4' energy: -10.803 flat angles C4'-P-C4' energy: -13.995 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -9.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -77.558946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.558946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.558946 (E_RNA) where: Base-Base interactions energy: -31.199 where: short stacking energy: -31.199 Base-Backbone interact. energy: -0.113 local terms energy: -46.246552 where: bonds (distance) C4'-P energy: -4.344 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -14.046 flat angles P-C4'-P energy: -11.302 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -76.009473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.009473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.009473 (E_RNA) where: Base-Base interactions energy: -27.083 where: short stacking energy: -27.083 Base-Backbone interact. energy: -0.069 local terms energy: -48.857334 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -13.900 flat angles C4'-P-C4' energy: -12.953 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -4.351 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: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -78.564778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.564778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.564778 (E_RNA) where: Base-Base interactions energy: -30.387 where: short stacking energy: -17.780 Base-Backbone interact. energy: -0.048 local terms energy: -48.130439 where: bonds (distance) C4'-P energy: -16.125 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -9.049 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -188.964989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.964989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.964989 (E_RNA) where: Base-Base interactions energy: -117.238 where: short stacking energy: -63.966 Base-Backbone interact. energy: -0.597 local terms energy: -71.129529 where: bonds (distance) C4'-P energy: -14.135 bonds (distance) P-C4' energy: -15.583 flat angles C4'-P-C4' energy: -15.480 flat angles P-C4'-P energy: -8.115 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: 2, replica: 7 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -172.180385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.180385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.180385 (E_RNA) where: Base-Base interactions energy: -111.585 where: short stacking energy: -52.471 Base-Backbone interact. energy: 0.036 local terms energy: -60.631036 where: bonds (distance) C4'-P energy: -12.544 bonds (distance) P-C4' energy: -12.308 flat angles C4'-P-C4' energy: -15.613 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -173.460092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.460092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.460092 (E_RNA) where: Base-Base interactions energy: -111.523 where: short stacking energy: -48.909 Base-Backbone interact. energy: -0.017 local terms energy: -61.919933 where: bonds (distance) C4'-P energy: -10.905 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -14.342 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -10.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -163.416342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.416342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.416342 (E_RNA) where: Base-Base interactions energy: -97.655 where: short stacking energy: -48.434 Base-Backbone interact. energy: -0.334 local terms energy: -65.427021 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -16.449 flat angles C4'-P-C4' energy: -15.012 flat angles P-C4'-P energy: -11.716 tors. eta vs tors. theta energy: -9.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -105.595821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.595821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.595821 (E_RNA) where: Base-Base interactions energy: -52.795 where: short stacking energy: -39.890 Base-Backbone interact. energy: 0.160 local terms energy: -52.960458 where: bonds (distance) C4'-P energy: -11.393 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -12.534 flat angles P-C4'-P energy: -8.818 tors. eta vs tors. theta energy: -9.393 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: 8 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -98.182889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.182889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.182889 (E_RNA) where: Base-Base interactions energy: -46.781 where: short stacking energy: -27.065 Base-Backbone interact. energy: -0.035 local terms energy: -51.367561 where: bonds (distance) C4'-P energy: -11.269 bonds (distance) P-C4' energy: -12.512 flat angles C4'-P-C4' energy: -12.412 flat angles P-C4'-P energy: -8.381 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -124.599139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.599139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.599139 (E_RNA) where: Base-Base interactions energy: -67.128 where: short stacking energy: -27.773 Base-Backbone interact. energy: -1.035 local terms energy: -56.435771 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -14.721 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -7.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -78.141961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.141961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.141961 (E_RNA) where: Base-Base interactions energy: -34.250 where: short stacking energy: -34.250 Base-Backbone interact. energy: -0.000 local terms energy: -43.892094 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -11.022 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -5.431 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: 9, replica: 10 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -75.907228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.907228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.907228 (E_RNA) where: Base-Base interactions energy: -27.511 where: short stacking energy: -20.006 Base-Backbone interact. energy: -0.193 local terms energy: -48.203579 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -12.410 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -9.593 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: 10, replica: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -71.628705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.628705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.628705 (E_RNA) where: Base-Base interactions energy: -22.001 where: short stacking energy: -22.001 Base-Backbone interact. energy: 0.094 local terms energy: -49.722068 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -10.721 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -180.675549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.675549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.675549 (E_RNA) where: Base-Base interactions energy: -106.813 where: short stacking energy: -59.961 Base-Backbone interact. energy: -0.695 local terms energy: -73.167574 where: bonds (distance) C4'-P energy: -10.491 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -14.942 flat angles P-C4'-P energy: -11.681 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: 2, replica: 7 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -171.119896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.119896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.119896 (E_RNA) where: Base-Base interactions energy: -106.108 where: short stacking energy: -53.710 Base-Backbone interact. energy: -0.209 local terms energy: -64.802965 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -7.977 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: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -164.785672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.785672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.785672 (E_RNA) where: Base-Base interactions energy: -106.613 where: short stacking energy: -49.791 Base-Backbone interact. energy: -0.105 local terms energy: -58.067322 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -10.781 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -10.727 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: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -163.439471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.439471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.439471 (E_RNA) where: Base-Base interactions energy: -99.047 where: short stacking energy: -43.947 Base-Backbone interact. energy: -0.000 local terms energy: -64.392221 where: bonds (distance) C4'-P energy: -15.393 bonds (distance) P-C4' energy: -10.962 flat angles C4'-P-C4' energy: -12.570 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -14.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -124.277136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.277136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.277136 (E_RNA) where: Base-Base interactions energy: -64.084 where: short stacking energy: -37.352 Base-Backbone interact. energy: -0.127 local terms energy: -60.066811 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -15.558 flat angles C4'-P-C4' energy: -13.314 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -9.020 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: 6, replica: 8 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -86.921302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.921302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.921302 (E_RNA) where: Base-Base interactions energy: -38.411 where: short stacking energy: -24.994 Base-Backbone interact. energy: -0.219 local terms energy: -48.290760 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -11.795 flat angles P-C4'-P energy: -7.514 tors. eta vs tors. theta energy: -0.649 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: 7, replica: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -102.788605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.788605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.788605 (E_RNA) where: Base-Base interactions energy: -57.320 where: short stacking energy: -33.382 Base-Backbone interact. energy: -0.055 local terms energy: -45.414325 where: bonds (distance) C4'-P energy: -9.953 bonds (distance) P-C4' energy: -12.004 flat angles C4'-P-C4' energy: -13.055 flat angles P-C4'-P energy: -4.473 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: 8, replica: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -122.698540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.698540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.698540 (E_RNA) where: Base-Base interactions energy: -66.239 where: short stacking energy: -35.858 Base-Backbone interact. energy: -0.500 local terms energy: -55.959122 where: bonds (distance) C4'-P energy: -11.858 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -13.848 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -9.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -79.512298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.512298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.512298 (E_RNA) where: Base-Base interactions energy: -32.022 where: short stacking energy: -28.031 Base-Backbone interact. energy: -0.110 local terms energy: -47.379518 where: bonds (distance) C4'-P energy: -10.405 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -10.856 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -5.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -76.458897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.458897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.458897 (E_RNA) where: Base-Base interactions energy: -34.853 where: short stacking energy: -25.558 Base-Backbone interact. energy: -0.004 local terms energy: -41.601252 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -4.213 flat angles P-C4'-P energy: -8.031 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -175.935742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.935742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.935742 (E_RNA) where: Base-Base interactions energy: -115.919 where: short stacking energy: -57.800 Base-Backbone interact. energy: -0.134 local terms energy: -59.882115 where: bonds (distance) C4'-P energy: -12.661 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -12.549 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -17.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -177.760905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.760905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.760905 (E_RNA) where: Base-Base interactions energy: -110.113 where: short stacking energy: -54.595 Base-Backbone interact. energy: -0.217 local terms energy: -67.431231 where: bonds (distance) C4'-P energy: -12.701 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -10.454 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: 3, replica: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -173.645798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.645798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.645798 (E_RNA) where: Base-Base interactions energy: -112.631 where: short stacking energy: -55.882 Base-Backbone interact. energy: -0.155 local terms energy: -60.859434 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -11.426 flat angles C4'-P-C4' energy: -10.447 flat angles P-C4'-P energy: -8.170 tors. eta vs tors. theta energy: -17.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -158.225375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.225375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.225375 (E_RNA) where: Base-Base interactions energy: -100.093 where: short stacking energy: -37.812 Base-Backbone interact. energy: 0.018 local terms energy: -58.150773 where: bonds (distance) C4'-P energy: -12.682 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -12.646 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -10.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -126.136222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.136222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.136222 (E_RNA) where: Base-Base interactions energy: -70.674 where: short stacking energy: -44.120 Base-Backbone interact. energy: 0.605 local terms energy: -56.066576 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -10.862 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -10.593 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: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -119.041588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.041588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.041588 (E_RNA) where: Base-Base interactions energy: -72.334 where: short stacking energy: -29.101 Base-Backbone interact. energy: -0.116 local terms energy: -46.591571 where: bonds (distance) C4'-P energy: -10.813 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -11.521 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -7.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -76.605779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.605779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.605779 (E_RNA) where: Base-Base interactions energy: -27.792 where: short stacking energy: -23.335 Base-Backbone interact. energy: -0.068 local terms energy: -48.745151 where: bonds (distance) C4'-P energy: -10.367 bonds (distance) P-C4' energy: -13.696 flat angles C4'-P-C4' energy: -11.907 flat angles P-C4'-P energy: -6.146 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: 8, replica: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -106.147368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.147368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.147368 (E_RNA) where: Base-Base interactions energy: -57.878 where: short stacking energy: -16.759 Base-Backbone interact. energy: 0.382 local terms energy: -48.651356 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -5.759 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: 9, replica: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -71.077067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.077067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.077067 (E_RNA) where: Base-Base interactions energy: -33.386 where: short stacking energy: -31.213 Base-Backbone interact. energy: -0.294 local terms energy: -37.397808 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -66.931520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.931520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.931520 (E_RNA) where: Base-Base interactions energy: -23.627 where: short stacking energy: -23.627 Base-Backbone interact. energy: -0.069 local terms energy: -43.235778 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -13.650 flat angles C4'-P-C4' energy: -9.760 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -0.891 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: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -182.928736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.928736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.928736 (E_RNA) where: Base-Base interactions energy: -120.100 where: short stacking energy: -52.184 Base-Backbone interact. energy: 0.024 local terms energy: -62.852972 where: bonds (distance) C4'-P energy: -15.777 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -10.967 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -13.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -177.275500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.275500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.275500 (E_RNA) where: Base-Base interactions energy: -114.904 where: short stacking energy: -49.888 Base-Backbone interact. energy: -0.824 local terms energy: -61.547598 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -10.271 flat angles C4'-P-C4' energy: -15.280 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -16.031 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: 1 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -180.037863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.037863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.037863 (E_RNA) where: Base-Base interactions energy: -113.211 where: short stacking energy: -63.694 Base-Backbone interact. energy: -0.001 local terms energy: -66.825825 where: bonds (distance) C4'-P energy: -10.503 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -9.470 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: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -164.229746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.229746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.229746 (E_RNA) where: Base-Base interactions energy: -107.466 where: short stacking energy: -48.864 Base-Backbone interact. energy: -0.523 local terms energy: -56.240793 where: bonds (distance) C4'-P energy: -11.799 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -8.492 tors. eta vs tors. theta energy: -15.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -136.139870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.139870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.139870 (E_RNA) where: Base-Base interactions energy: -75.054 where: short stacking energy: -45.973 Base-Backbone interact. energy: -0.130 local terms energy: -60.956530 where: bonds (distance) C4'-P energy: -10.128 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -12.507 flat angles P-C4'-P energy: -10.553 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: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -107.886293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.886293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.886293 (E_RNA) where: Base-Base interactions energy: -47.699 where: short stacking energy: -34.100 Base-Backbone interact. energy: -0.058 local terms energy: -60.129023 where: bonds (distance) C4'-P energy: -14.283 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -10.367 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -81.495130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.495130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.495130 (E_RNA) where: Base-Base interactions energy: -36.961 where: short stacking energy: -11.568 Base-Backbone interact. energy: -0.383 local terms energy: -44.151501 where: bonds (distance) C4'-P energy: -12.312 bonds (distance) P-C4' energy: -16.330 flat angles C4'-P-C4' energy: -9.906 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: 0.374 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: 148 Temperature: 1.250000 Total energy: -83.505886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.505886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.505886 (E_RNA) where: Base-Base interactions energy: -34.502 where: short stacking energy: -34.502 Base-Backbone interact. energy: -0.039 local terms energy: -48.965316 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -10.742 flat angles C4'-P-C4' energy: -11.558 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -6.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -82.316231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.316231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.316231 (E_RNA) where: Base-Base interactions energy: -36.930 where: short stacking energy: -25.122 Base-Backbone interact. energy: -0.295 local terms energy: -45.090615 where: bonds (distance) C4'-P energy: -9.013 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -11.677 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -76.957945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.957945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.957945 (E_RNA) where: Base-Base interactions energy: -43.843 where: short stacking energy: -17.037 Base-Backbone interact. energy: -0.454 local terms energy: -32.660302 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: 2.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -177.029125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.029125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.029125 (E_RNA) where: Base-Base interactions energy: -107.903 where: short stacking energy: -57.393 Base-Backbone interact. energy: -0.001 local terms energy: -69.124930 where: bonds (distance) C4'-P energy: -12.678 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -15.886 flat angles P-C4'-P energy: -12.094 tors. eta vs tors. theta energy: -16.590 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: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -181.505181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.505181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.505181 (E_RNA) where: Base-Base interactions energy: -107.779 where: short stacking energy: -57.634 Base-Backbone interact. energy: 0.100 local terms energy: -73.826232 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -14.387 flat angles P-C4'-P energy: -10.866 tors. eta vs tors. theta energy: -20.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -172.584935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.584935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.584935 (E_RNA) where: Base-Base interactions energy: -109.072 where: short stacking energy: -52.499 Base-Backbone interact. energy: -0.112 local terms energy: -63.401417 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -14.773 flat angles C4'-P-C4' energy: -15.111 flat angles P-C4'-P energy: -6.743 tors. eta vs tors. theta energy: -12.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -174.841002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.841002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.841002 (E_RNA) where: Base-Base interactions energy: -112.155 where: short stacking energy: -58.571 Base-Backbone interact. energy: 0.001 local terms energy: -62.686305 where: bonds (distance) C4'-P energy: -14.022 bonds (distance) P-C4' energy: -11.516 flat angles C4'-P-C4' energy: -14.848 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: -15.746 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: 149 Temperature: 1.100000 Total energy: -103.903390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.903390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.903390 (E_RNA) where: Base-Base interactions energy: -52.627 where: short stacking energy: -43.018 Base-Backbone interact. energy: -0.615 local terms energy: -50.660478 where: bonds (distance) C4'-P energy: -9.866 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -16.715 flat angles P-C4'-P energy: -8.473 tors. eta vs tors. theta energy: -8.096 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: 6, replica: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -95.009760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.009760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.009760 (E_RNA) where: Base-Base interactions energy: -40.699 where: short stacking energy: -31.388 Base-Backbone interact. energy: -0.074 local terms energy: -54.236628 where: bonds (distance) C4'-P energy: -13.572 bonds (distance) P-C4' energy: -15.941 flat angles C4'-P-C4' energy: -10.082 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -6.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -93.839748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.839748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.839748 (E_RNA) where: Base-Base interactions energy: -48.582 where: short stacking energy: -30.783 Base-Backbone interact. energy: 0.660 local terms energy: -45.917011 where: bonds (distance) C4'-P energy: -9.282 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -6.155 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: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -84.148724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.148724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.148724 (E_RNA) where: Base-Base interactions energy: -40.108 where: short stacking energy: -25.101 Base-Backbone interact. energy: -0.010 local terms energy: -44.030483 where: bonds (distance) C4'-P energy: -13.198 bonds (distance) P-C4' energy: -10.754 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -10.111 tors. eta vs tors. theta energy: -4.390 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: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -73.457867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.457867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.457867 (E_RNA) where: Base-Base interactions energy: -23.409 where: short stacking energy: -23.409 Base-Backbone interact. energy: -0.134 local terms energy: -49.915174 where: bonds (distance) C4'-P energy: -8.877 bonds (distance) P-C4' energy: -13.769 flat angles C4'-P-C4' energy: -14.166 flat angles P-C4'-P energy: -7.541 tors. eta vs tors. theta energy: -5.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -67.391627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.391627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.391627 (E_RNA) where: Base-Base interactions energy: -26.359 where: short stacking energy: -22.864 Base-Backbone interact. energy: -0.195 local terms energy: -40.837630 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -11.027 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: 0.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -179.524669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.524669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.524669 (E_RNA) where: Base-Base interactions energy: -112.631 where: short stacking energy: -57.559 Base-Backbone interact. energy: -0.566 local terms energy: -66.327754 where: bonds (distance) C4'-P energy: -14.680 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -14.765 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -15.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -173.056846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.056846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.056846 (E_RNA) where: Base-Base interactions energy: -112.291 where: short stacking energy: -55.298 Base-Backbone interact. energy: -0.167 local terms energy: -60.598723 where: bonds (distance) C4'-P energy: -13.903 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -12.826 flat angles P-C4'-P energy: -7.620 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: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -178.914985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.914985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.914985 (E_RNA) where: Base-Base interactions energy: -114.983 where: short stacking energy: -53.310 Base-Backbone interact. energy: -0.385 local terms energy: -63.546979 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -14.471 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -14.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -165.018072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.018072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.018072 (E_RNA) where: Base-Base interactions energy: -103.935 where: short stacking energy: -53.930 Base-Backbone interact. energy: -0.826 local terms energy: -60.257617 where: bonds (distance) C4'-P energy: -13.037 bonds (distance) P-C4' energy: -11.343 flat angles C4'-P-C4' energy: -13.246 flat angles P-C4'-P energy: -10.062 tors. eta vs tors. theta energy: -12.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -83.670983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.670983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.670983 (E_RNA) where: Base-Base interactions energy: -34.000 where: short stacking energy: -29.915 Base-Backbone interact. energy: -0.152 local terms energy: -49.519203 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -12.213 flat angles C4'-P-C4' energy: -11.846 flat angles P-C4'-P energy: -9.879 tors. eta vs tors. theta energy: -7.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -88.358647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.358647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.358647 (E_RNA) where: Base-Base interactions energy: -36.413 where: short stacking energy: -33.046 Base-Backbone interact. energy: -0.096 local terms energy: -51.849588 where: bonds (distance) C4'-P energy: -13.148 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -7.524 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -82.630704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.630704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.630704 (E_RNA) where: Base-Base interactions energy: -33.721 where: short stacking energy: -22.157 Base-Backbone interact. energy: -0.298 local terms energy: -48.612300 where: bonds (distance) C4'-P energy: -15.112 bonds (distance) P-C4' energy: -12.501 flat angles C4'-P-C4' energy: -11.664 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -74.045175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.045175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.045175 (E_RNA) where: Base-Base interactions energy: -24.733 where: short stacking energy: -24.733 Base-Backbone interact. energy: -1.083 local terms energy: -48.229216 where: bonds (distance) C4'-P energy: -10.668 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -8.545 tors. eta vs tors. theta energy: -4.553 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: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -93.188972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.188972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.188972 (E_RNA) where: Base-Base interactions energy: -46.952 where: short stacking energy: -27.561 Base-Backbone interact. energy: -0.119 local terms energy: -46.117223 where: bonds (distance) C4'-P energy: -8.210 bonds (distance) P-C4' energy: -10.846 flat angles C4'-P-C4' energy: -11.905 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -10.321 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: 10, replica: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -69.516728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.516728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.516728 (E_RNA) where: Base-Base interactions energy: -27.560 where: short stacking energy: -27.560 Base-Backbone interact. energy: -0.002 local terms energy: -41.954584 where: bonds (distance) C4'-P energy: -9.572 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -11.409 flat angles P-C4'-P energy: -3.642 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: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -183.940904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.940904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.940904 (E_RNA) where: Base-Base interactions energy: -114.176 where: short stacking energy: -60.564 Base-Backbone interact. energy: 0.502 local terms energy: -70.267580 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -17.118 flat angles P-C4'-P energy: -10.553 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: 2, replica: 3 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -176.737219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.737219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.737219 (E_RNA) where: Base-Base interactions energy: -118.322 where: short stacking energy: -51.217 Base-Backbone interact. energy: -0.589 local terms energy: -57.826512 where: bonds (distance) C4'-P energy: -13.107 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -15.864 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -12.532 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: 3, replica: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -169.909085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.909085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.909085 (E_RNA) where: Base-Base interactions energy: -105.249 where: short stacking energy: -53.596 Base-Backbone interact. energy: -0.824 local terms energy: -63.835987 where: bonds (distance) C4'-P energy: -11.601 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -11.818 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -18.348 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: 4, replica: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -165.175638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.175638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.175638 (E_RNA) where: Base-Base interactions energy: -104.160 where: short stacking energy: -46.710 Base-Backbone interact. energy: -3.042 local terms energy: -57.974167 where: bonds (distance) C4'-P energy: -9.799 bonds (distance) P-C4' energy: -8.248 flat angles C4'-P-C4' energy: -15.210 flat angles P-C4'-P energy: -11.529 tors. eta vs tors. theta energy: -13.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -91.907869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.907869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.907869 (E_RNA) where: Base-Base interactions energy: -41.958 where: short stacking energy: -28.985 Base-Backbone interact. energy: -0.320 local terms energy: -49.629355 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -10.991 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -88.367540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.367540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.367540 (E_RNA) where: Base-Base interactions energy: -35.284 where: short stacking energy: -35.284 Base-Backbone interact. energy: -0.052 local terms energy: -53.030857 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -15.438 flat angles C4'-P-C4' energy: -10.926 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -8.526 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: 151 Temperature: 1.200000 Total energy: -91.880509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.880509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.880509 (E_RNA) where: Base-Base interactions energy: -38.738 where: short stacking energy: -38.738 Base-Backbone interact. energy: -0.018 local terms energy: -53.124344 where: bonds (distance) C4'-P energy: -14.961 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -10.983 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -5.298 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: 9 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -75.751170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.751170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.751170 (E_RNA) where: Base-Base interactions energy: -23.181 where: short stacking energy: -22.062 Base-Backbone interact. energy: -0.926 local terms energy: -51.644331 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -14.865 flat angles C4'-P-C4' energy: -11.084 flat angles P-C4'-P energy: -10.790 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -70.064280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.064280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.064280 (E_RNA) where: Base-Base interactions energy: -34.410 where: short stacking energy: -8.646 Base-Backbone interact. energy: -0.405 local terms energy: -35.248855 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -8.153 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: 4.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -69.257454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.257454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.257454 (E_RNA) where: Base-Base interactions energy: -25.464 where: short stacking energy: -23.472 Base-Backbone interact. energy: -0.136 local terms energy: -43.657612 where: bonds (distance) C4'-P energy: -10.387 bonds (distance) P-C4' energy: -12.758 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -7.060 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -178.647557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.647557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.647557 (E_RNA) where: Base-Base interactions energy: -113.683 where: short stacking energy: -60.108 Base-Backbone interact. energy: -0.095 local terms energy: -64.869449 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -9.694 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: 2, replica: 3 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -164.878724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.878724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.878724 (E_RNA) where: Base-Base interactions energy: -103.508 where: short stacking energy: -49.492 Base-Backbone interact. energy: -1.269 local terms energy: -60.102184 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -16.320 flat angles P-C4'-P energy: -7.221 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: 3, replica: 7 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -172.772828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.772828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.772828 (E_RNA) where: Base-Base interactions energy: -106.629 where: short stacking energy: -51.512 Base-Backbone interact. energy: -0.740 local terms energy: -65.403839 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -11.308 flat angles P-C4'-P energy: -6.021 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: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -146.326505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.326505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.326505 (E_RNA) where: Base-Base interactions energy: -90.659 where: short stacking energy: -47.448 Base-Backbone interact. energy: 1.453 local terms energy: -57.120034 where: bonds (distance) C4'-P energy: -11.886 bonds (distance) P-C4' energy: -13.578 flat angles C4'-P-C4' energy: -11.340 flat angles P-C4'-P energy: -9.098 tors. eta vs tors. theta energy: -11.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -87.171099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.171099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.171099 (E_RNA) where: Base-Base interactions energy: -37.048 where: short stacking energy: -27.395 Base-Backbone interact. energy: -0.181 local terms energy: -49.941638 where: bonds (distance) C4'-P energy: -11.390 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -8.926 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -85.305783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.305783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.305783 (E_RNA) where: Base-Base interactions energy: -30.664 where: short stacking energy: -30.664 Base-Backbone interact. energy: -0.091 local terms energy: -54.551196 where: bonds (distance) C4'-P energy: -11.481 bonds (distance) P-C4' energy: -10.084 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -10.591 tors. eta vs tors. theta energy: -8.907 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: 7, replica: 9 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -80.374694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.374694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.374694 (E_RNA) where: Base-Base interactions energy: -31.068 where: short stacking energy: -21.015 Base-Backbone interact. energy: -0.031 local terms energy: -49.275423 where: bonds (distance) C4'-P energy: -12.081 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -10.289 tors. eta vs tors. theta energy: -1.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -80.659657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.659657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.659657 (E_RNA) where: Base-Base interactions energy: -29.976 where: short stacking energy: -29.976 Base-Backbone interact. energy: -0.005 local terms energy: -50.679218 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -8.313 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: 9, replica: 8 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -79.077812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.077812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.077812 (E_RNA) where: Base-Base interactions energy: -26.449 where: short stacking energy: -26.449 Base-Backbone interact. energy: -0.030 local terms energy: -52.598653 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -14.898 flat angles C4'-P-C4' energy: -10.584 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -6.786 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: 5 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -71.833009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.833009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.833009 (E_RNA) where: Base-Base interactions energy: -23.753 where: short stacking energy: -17.199 Base-Backbone interact. energy: -1.860 local terms energy: -46.220152 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -8.833 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: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -177.265129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.265129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.265129 (E_RNA) where: Base-Base interactions energy: -105.449 where: short stacking energy: -51.722 Base-Backbone interact. energy: -0.001 local terms energy: -71.815520 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -11.924 flat angles C4'-P-C4' energy: -14.127 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -20.013 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: 7 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -167.232345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.232345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.232345 (E_RNA) where: Base-Base interactions energy: -97.438 where: short stacking energy: -56.200 Base-Backbone interact. energy: -0.087 local terms energy: -69.707741 where: bonds (distance) C4'-P energy: -14.241 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -14.373 flat angles P-C4'-P energy: -10.967 tors. eta vs tors. theta energy: -15.974 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: 3, replica: 3 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -165.106707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.106707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.106707 (E_RNA) where: Base-Base interactions energy: -99.273 where: short stacking energy: -57.787 Base-Backbone interact. energy: -0.639 local terms energy: -65.195164 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -16.190 flat angles P-C4'-P energy: -7.487 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: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -146.199720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.199720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.199720 (E_RNA) where: Base-Base interactions energy: -86.078 where: short stacking energy: -40.968 Base-Backbone interact. energy: 0.184 local terms energy: -60.305706 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -10.767 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -10.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -85.659562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.659562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.659562 (E_RNA) where: Base-Base interactions energy: -37.695 where: short stacking energy: -29.482 Base-Backbone interact. energy: -0.148 local terms energy: -47.816695 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -14.830 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -82.703101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.703101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.703101 (E_RNA) where: Base-Base interactions energy: -26.132 where: short stacking energy: -18.177 Base-Backbone interact. energy: 0.349 local terms energy: -56.919571 where: bonds (distance) C4'-P energy: -15.715 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -13.096 flat angles P-C4'-P energy: -8.685 tors. eta vs tors. theta energy: -4.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -105.733087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.733087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.733087 (E_RNA) where: Base-Base interactions energy: -55.368 where: short stacking energy: -41.732 Base-Backbone interact. energy: -0.017 local terms energy: -50.348251 where: bonds (distance) C4'-P energy: -8.211 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -10.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -77.853889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.853889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.853889 (E_RNA) where: Base-Base interactions energy: -32.992 where: short stacking energy: -31.821 Base-Backbone interact. energy: 0.395 local terms energy: -45.256997 where: bonds (distance) C4'-P energy: -11.753 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -75.694706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.694706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.694706 (E_RNA) where: Base-Base interactions energy: -25.203 where: short stacking energy: -17.479 Base-Backbone interact. energy: -0.349 local terms energy: -50.142278 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -11.863 flat angles C4'-P-C4' energy: -11.992 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -73.088025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.088025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.088025 (E_RNA) where: Base-Base interactions energy: -22.670 where: short stacking energy: -13.585 Base-Backbone interact. energy: -1.670 local terms energy: -48.748586 where: bonds (distance) C4'-P energy: -11.093 bonds (distance) P-C4' energy: -16.189 flat angles C4'-P-C4' energy: -11.043 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -179.835846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.835846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.835846 (E_RNA) where: Base-Base interactions energy: -117.518 where: short stacking energy: -61.484 Base-Backbone interact. energy: -0.002 local terms energy: -62.316672 where: bonds (distance) C4'-P energy: -11.844 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -6.629 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: 7 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -175.349116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.349116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.349116 (E_RNA) where: Base-Base interactions energy: -110.912 where: short stacking energy: -47.591 Base-Backbone interact. energy: -0.383 local terms energy: -64.053819 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -9.936 flat angles C4'-P-C4' energy: -14.734 flat angles P-C4'-P energy: -10.510 tors. eta vs tors. theta energy: -15.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -168.821794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.821794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.821794 (E_RNA) where: Base-Base interactions energy: -101.451 where: short stacking energy: -51.571 Base-Backbone interact. energy: -0.002 local terms energy: -67.369320 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -16.919 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -15.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -170.976156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.976156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.976156 (E_RNA) where: Base-Base interactions energy: -105.507 where: short stacking energy: -48.940 Base-Backbone interact. energy: -0.061 local terms energy: -65.407715 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -12.499 flat angles P-C4'-P energy: -12.022 tors. eta vs tors. theta energy: -14.655 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: 5, replica: 9 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -98.342258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.342258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.342258 (E_RNA) where: Base-Base interactions energy: -47.692 where: short stacking energy: -25.892 Base-Backbone interact. energy: -0.297 local terms energy: -50.352969 where: bonds (distance) C4'-P energy: -10.926 bonds (distance) P-C4' energy: -16.042 flat angles C4'-P-C4' energy: -11.858 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -6.586 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: 6, replica: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -90.145113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.145113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.145113 (E_RNA) where: Base-Base interactions energy: -39.346 where: short stacking energy: -21.226 Base-Backbone interact. energy: 0.277 local terms energy: -51.076016 where: bonds (distance) C4'-P energy: -11.211 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -4.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -89.814054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.814054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.814054 (E_RNA) where: Base-Base interactions energy: -45.969 where: short stacking energy: -31.142 Base-Backbone interact. energy: -0.028 local terms energy: -43.816330 where: bonds (distance) C4'-P energy: -8.127 bonds (distance) P-C4' energy: -12.650 flat angles C4'-P-C4' energy: -13.094 flat angles P-C4'-P energy: -5.952 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: 8, replica: 8 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -75.778465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.778465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.778465 (E_RNA) where: Base-Base interactions energy: -31.720 where: short stacking energy: -23.926 Base-Backbone interact. energy: 1.663 local terms energy: -45.720993 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -11.921 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -3.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -80.270384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.270384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.270384 (E_RNA) where: Base-Base interactions energy: -39.624 where: short stacking energy: -17.624 Base-Backbone interact. energy: -0.067 local terms energy: -40.579862 where: bonds (distance) C4'-P energy: -11.078 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: 3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -68.683449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.683449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.683449 (E_RNA) where: Base-Base interactions energy: -23.103 where: short stacking energy: -23.103 Base-Backbone interact. energy: 1.352 local terms energy: -46.932943 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -8.098 tors. eta vs tors. theta energy: -6.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -179.558809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.558809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.558809 (E_RNA) where: Base-Base interactions energy: -107.742 where: short stacking energy: -56.711 Base-Backbone interact. energy: -0.013 local terms energy: -71.803233 where: bonds (distance) C4'-P energy: -13.625 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -15.882 flat angles P-C4'-P energy: -11.231 tors. eta vs tors. theta energy: -15.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -167.223921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.223921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.223921 (E_RNA) where: Base-Base interactions energy: -105.618 where: short stacking energy: -46.670 Base-Backbone interact. energy: -0.882 local terms energy: -60.723704 where: bonds (distance) C4'-P energy: -14.000 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -8.843 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: 3, replica: 6 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -171.826993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.826993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.826993 (E_RNA) where: Base-Base interactions energy: -106.923 where: short stacking energy: -51.587 Base-Backbone interact. energy: -1.125 local terms energy: -63.778836 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -12.851 flat angles P-C4'-P energy: -10.644 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: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -167.341414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.341414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.341414 (E_RNA) where: Base-Base interactions energy: -102.536 where: short stacking energy: -49.723 Base-Backbone interact. energy: -0.158 local terms energy: -64.647267 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -16.695 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: 5, replica: 9 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -89.966500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.966500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.966500 (E_RNA) where: Base-Base interactions energy: -42.692 where: short stacking energy: -26.723 Base-Backbone interact. energy: -0.315 local terms energy: -46.959309 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -10.977 flat angles C4'-P-C4' energy: -12.336 flat angles P-C4'-P energy: -9.155 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -96.594426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.594426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.594426 (E_RNA) where: Base-Base interactions energy: -42.377 where: short stacking energy: -37.988 Base-Backbone interact. energy: -0.596 local terms energy: -53.621553 where: bonds (distance) C4'-P energy: -12.616 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -14.427 flat angles P-C4'-P energy: -9.670 tors. eta vs tors. theta energy: -7.536 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: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -93.346368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.346368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.346368 (E_RNA) where: Base-Base interactions energy: -45.495 where: short stacking energy: -27.376 Base-Backbone interact. energy: -0.104 local terms energy: -47.747668 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -8.347 tors. eta vs tors. theta energy: -7.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -75.614541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.614541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.614541 (E_RNA) where: Base-Base interactions energy: -31.873 where: short stacking energy: -30.445 Base-Backbone interact. energy: 0.813 local terms energy: -44.554649 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -14.838 flat angles C4'-P-C4' energy: -11.172 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -0.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -75.581083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.581083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.581083 (E_RNA) where: Base-Base interactions energy: -22.639 where: short stacking energy: -22.639 Base-Backbone interact. energy: -0.010 local terms energy: -52.932036 where: bonds (distance) C4'-P energy: -14.992 bonds (distance) P-C4' energy: -11.419 flat angles C4'-P-C4' energy: -14.401 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -4.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -61.120689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.120689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.120689 (E_RNA) where: Base-Base interactions energy: -14.110 where: short stacking energy: -12.576 Base-Backbone interact. energy: 0.796 local terms energy: -47.806237 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -9.315 flat angles P-C4'-P energy: -10.598 tors. eta vs tors. theta energy: -2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -187.953730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.953730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.953730 (E_RNA) where: Base-Base interactions energy: -118.210 where: short stacking energy: -60.845 Base-Backbone interact. energy: -0.193 local terms energy: -69.550696 where: bonds (distance) C4'-P energy: -10.945 bonds (distance) P-C4' energy: -17.162 flat angles C4'-P-C4' energy: -14.959 flat angles P-C4'-P energy: -11.763 tors. eta vs tors. theta energy: -14.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -161.482589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.482589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.482589 (E_RNA) where: Base-Base interactions energy: -96.331 where: short stacking energy: -45.362 Base-Backbone interact. energy: -0.021 local terms energy: -65.130671 where: bonds (distance) C4'-P energy: -14.469 bonds (distance) P-C4' energy: -15.430 flat angles C4'-P-C4' energy: -14.948 flat angles P-C4'-P energy: -7.039 tors. eta vs tors. theta energy: -13.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -168.053650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.053650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.053650 (E_RNA) where: Base-Base interactions energy: -104.444 where: short stacking energy: -56.158 Base-Backbone interact. energy: -0.241 local terms energy: -63.368996 where: bonds (distance) C4'-P energy: -15.294 bonds (distance) P-C4' energy: -14.101 flat angles C4'-P-C4' energy: -14.095 flat angles P-C4'-P energy: -3.893 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: 4, replica: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -166.138939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.138939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.138939 (E_RNA) where: Base-Base interactions energy: -104.866 where: short stacking energy: -55.344 Base-Backbone interact. energy: -0.514 local terms energy: -60.758456 where: bonds (distance) C4'-P energy: -9.390 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -10.855 tors. eta vs tors. theta energy: -10.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -117.415968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.415968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.415968 (E_RNA) where: Base-Base interactions energy: -65.402 where: short stacking energy: -43.917 Base-Backbone interact. energy: -0.007 local terms energy: -52.007321 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -12.630 flat angles C4'-P-C4' energy: -9.091 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -9.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -82.482026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.482026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.482026 (E_RNA) where: Base-Base interactions energy: -39.649 where: short stacking energy: -31.089 Base-Backbone interact. energy: -0.209 local terms energy: -42.623676 where: bonds (distance) C4'-P energy: -9.530 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -13.257 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: 1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -90.065582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.065582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.065582 (E_RNA) where: Base-Base interactions energy: -38.945 where: short stacking energy: -30.674 Base-Backbone interact. energy: -0.177 local terms energy: -50.943153 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -14.010 flat angles C4'-P-C4' energy: -9.710 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -3.902 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: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -78.926318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.926318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.926318 (E_RNA) where: Base-Base interactions energy: -35.964 where: short stacking energy: -24.424 Base-Backbone interact. energy: -0.460 local terms energy: -42.501976 where: bonds (distance) C4'-P energy: -10.371 bonds (distance) P-C4' energy: -13.587 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -9.654 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -85.928433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.928433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.928433 (E_RNA) where: Base-Base interactions energy: -30.127 where: short stacking energy: -21.256 Base-Backbone interact. energy: -0.058 local terms energy: -55.743241 where: bonds (distance) C4'-P energy: -11.704 bonds (distance) P-C4' energy: -12.272 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -11.186 tors. eta vs tors. theta energy: -7.600 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: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -78.357353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.357353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.357353 (E_RNA) where: Base-Base interactions energy: -34.162 where: short stacking energy: -27.843 Base-Backbone interact. energy: -0.105 local terms energy: -44.090801 where: bonds (distance) C4'-P energy: -11.166 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -7.460 tors. eta vs tors. theta energy: -4.632 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: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -184.896121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.896121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.896121 (E_RNA) where: Base-Base interactions energy: -118.931 where: short stacking energy: -58.629 Base-Backbone interact. energy: -0.264 local terms energy: -65.700895 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -11.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -171.973096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.973096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.973096 (E_RNA) where: Base-Base interactions energy: -109.413 where: short stacking energy: -46.183 Base-Backbone interact. energy: -0.427 local terms energy: -62.133084 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -8.139 tors. eta vs tors. theta energy: -11.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -175.299092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.299092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.299092 (E_RNA) where: Base-Base interactions energy: -115.522 where: short stacking energy: -49.717 Base-Backbone interact. energy: -0.118 local terms energy: -59.659099 where: bonds (distance) C4'-P energy: -9.882 bonds (distance) P-C4' energy: -15.204 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -7.251 tors. eta vs tors. theta energy: -14.546 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: 9 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -132.338251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.338251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.338251 (E_RNA) where: Base-Base interactions energy: -81.414 where: short stacking energy: -30.769 Base-Backbone interact. energy: -0.081 local terms energy: -50.843169 where: bonds (distance) C4'-P energy: -9.878 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -7.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -156.540455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.540455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.540455 (E_RNA) where: Base-Base interactions energy: -101.526 where: short stacking energy: -51.147 Base-Backbone interact. energy: -0.020 local terms energy: -54.995217 where: bonds (distance) C4'-P energy: -8.786 bonds (distance) P-C4' energy: -12.661 flat angles C4'-P-C4' energy: -10.847 flat angles P-C4'-P energy: -7.828 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: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -101.932795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.932795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.932795 (E_RNA) where: Base-Base interactions energy: -55.104 where: short stacking energy: -28.651 Base-Backbone interact. energy: 0.466 local terms energy: -47.295085 where: bonds (distance) C4'-P energy: -10.093 bonds (distance) P-C4' energy: -12.967 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -83.318879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.318879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.318879 (E_RNA) where: Base-Base interactions energy: -33.426 where: short stacking energy: -21.178 Base-Backbone interact. energy: -0.165 local terms energy: -49.727947 where: bonds (distance) C4'-P energy: -12.892 bonds (distance) P-C4' energy: -15.187 flat angles C4'-P-C4' energy: -10.031 flat angles P-C4'-P energy: -7.469 tors. eta vs tors. theta energy: -4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -73.547785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.547785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.547785 (E_RNA) where: Base-Base interactions energy: -29.443 where: short stacking energy: -29.443 Base-Backbone interact. energy: -0.022 local terms energy: -44.082435 where: bonds (distance) C4'-P energy: -10.005 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -10.944 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -78.665409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.665409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.665409 (E_RNA) where: Base-Base interactions energy: -35.603 where: short stacking energy: -28.488 Base-Backbone interact. energy: -0.069 local terms energy: -42.992557 where: bonds (distance) C4'-P energy: -9.807 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -3.284 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: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -64.098393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.098393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.098393 (E_RNA) where: Base-Base interactions energy: -9.549 where: short stacking energy: -8.327 Base-Backbone interact. energy: -0.227 local terms energy: -54.323266 where: bonds (distance) C4'-P energy: -15.049 bonds (distance) P-C4' energy: -16.923 flat angles C4'-P-C4' energy: -11.903 flat angles P-C4'-P energy: -11.776 tors. eta vs tors. theta energy: 1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -175.312178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.312178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.312178 (E_RNA) where: Base-Base interactions energy: -115.529 where: short stacking energy: -48.545 Base-Backbone interact. energy: -1.193 local terms energy: -58.590103 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -12.270 flat angles C4'-P-C4' energy: -12.208 flat angles P-C4'-P energy: -6.531 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: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -190.874867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.874867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.874867 (E_RNA) where: Base-Base interactions energy: -123.058 where: short stacking energy: -52.185 Base-Backbone interact. energy: -0.656 local terms energy: -67.160842 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -16.831 flat angles C4'-P-C4' energy: -13.628 flat angles P-C4'-P energy: -10.685 tors. eta vs tors. theta energy: -14.411 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: 7 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -169.422037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.422037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.422037 (E_RNA) where: Base-Base interactions energy: -111.151 where: short stacking energy: -45.031 Base-Backbone interact. energy: -1.030 local terms energy: -57.240615 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -7.218 tors. eta vs tors. theta energy: -12.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -146.863008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.863008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.863008 (E_RNA) where: Base-Base interactions energy: -91.512 where: short stacking energy: -38.710 Base-Backbone interact. energy: -0.327 local terms energy: -55.024145 where: bonds (distance) C4'-P energy: -11.958 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -11.830 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -161.570041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.570041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.570041 (E_RNA) where: Base-Base interactions energy: -103.332 where: short stacking energy: -50.073 Base-Backbone interact. energy: -0.510 local terms energy: -57.727678 where: bonds (distance) C4'-P energy: -11.015 bonds (distance) P-C4' energy: -12.780 flat angles C4'-P-C4' energy: -12.120 flat angles P-C4'-P energy: -8.109 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: 6, replica: 5 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -110.320729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.320729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.320729 (E_RNA) where: Base-Base interactions energy: -59.857 where: short stacking energy: -43.248 Base-Backbone interact. energy: -0.215 local terms energy: -50.248908 where: bonds (distance) C4'-P energy: -10.782 bonds (distance) P-C4' energy: -8.899 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -5.591 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: 2 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -81.235174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.235174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.235174 (E_RNA) where: Base-Base interactions energy: -33.376 where: short stacking energy: -23.242 Base-Backbone interact. energy: -0.099 local terms energy: -47.759919 where: bonds (distance) C4'-P energy: -7.705 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -10.546 tors. eta vs tors. theta energy: -2.662 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: 4 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -85.236945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.236945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.236945 (E_RNA) where: Base-Base interactions energy: -39.023 where: short stacking energy: -31.309 Base-Backbone interact. energy: -0.285 local terms energy: -45.929025 where: bonds (distance) C4'-P energy: -11.637 bonds (distance) P-C4' energy: -10.841 flat angles C4'-P-C4' energy: -10.443 flat angles P-C4'-P energy: -8.077 tors. eta vs tors. theta energy: -4.930 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: 9, replica: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -81.487173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.487173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.487173 (E_RNA) where: Base-Base interactions energy: -31.299 where: short stacking energy: -31.299 Base-Backbone interact. energy: -0.048 local terms energy: -50.139688 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -10.010 flat angles C4'-P-C4' energy: -8.758 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -8.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -70.334098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.334098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.334098 (E_RNA) where: Base-Base interactions energy: -25.378 where: short stacking energy: -13.352 Base-Backbone interact. energy: -0.136 local terms energy: -44.819852 where: bonds (distance) C4'-P energy: -12.128 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -8.171 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -187.866915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.866915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.866915 (E_RNA) where: Base-Base interactions energy: -125.030 where: short stacking energy: -57.357 Base-Backbone interact. energy: -0.933 local terms energy: -61.904648 where: bonds (distance) C4'-P energy: -10.686 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -7.332 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: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -183.552612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.552612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.552612 (E_RNA) where: Base-Base interactions energy: -120.292 where: short stacking energy: -53.323 Base-Backbone interact. energy: -0.100 local terms energy: -63.160240 where: bonds (distance) C4'-P energy: -14.735 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -13.114 flat angles P-C4'-P energy: -9.841 tors. eta vs tors. theta energy: -11.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -179.225716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.225716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.225716 (E_RNA) where: Base-Base interactions energy: -108.485 where: short stacking energy: -58.182 Base-Backbone interact. energy: -0.014 local terms energy: -70.726424 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -16.683 flat angles C4'-P-C4' energy: -13.207 flat angles P-C4'-P energy: -12.626 tors. eta vs tors. theta energy: -15.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -163.647753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.647753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.647753 (E_RNA) where: Base-Base interactions energy: -105.741 where: short stacking energy: -46.964 Base-Backbone interact. energy: -0.484 local terms energy: -57.422410 where: bonds (distance) C4'-P energy: -12.221 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -8.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -158.384246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.384246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.384246 (E_RNA) where: Base-Base interactions energy: -90.694 where: short stacking energy: -52.551 Base-Backbone interact. energy: -1.134 local terms energy: -66.555952 where: bonds (distance) C4'-P energy: -12.176 bonds (distance) P-C4' energy: -14.819 flat angles C4'-P-C4' energy: -13.789 flat angles P-C4'-P energy: -12.636 tors. eta vs tors. theta energy: -13.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -77.316905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.316905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.316905 (E_RNA) where: Base-Base interactions energy: -32.789 where: short stacking energy: -31.953 Base-Backbone interact. energy: -0.131 local terms energy: -44.397407 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -1.119 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: 159 Temperature: 1.200000 Total energy: -78.711526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.711526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.711526 (E_RNA) where: Base-Base interactions energy: -39.339 where: short stacking energy: -22.994 Base-Backbone interact. energy: -0.759 local terms energy: -38.613687 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -10.778 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -4.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -89.535165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.535165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.535165 (E_RNA) where: Base-Base interactions energy: -43.245 where: short stacking energy: -31.054 Base-Backbone interact. energy: -0.003 local terms energy: -46.287245 where: bonds (distance) C4'-P energy: -10.226 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -10.868 flat angles P-C4'-P energy: -6.602 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: 9, replica: 4 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -69.487544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.487544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.487544 (E_RNA) where: Base-Base interactions energy: -31.550 where: short stacking energy: -23.577 Base-Backbone interact. energy: -0.375 local terms energy: -37.561862 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -9.727 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: 0.906 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: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -64.430603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.430603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.430603 (E_RNA) where: Base-Base interactions energy: -20.059 where: short stacking energy: -20.059 Base-Backbone interact. energy: -0.322 local terms energy: -44.049617 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -7.731 tors. eta vs tors. theta energy: 1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -181.030694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.030694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.030694 (E_RNA) where: Base-Base interactions energy: -110.025 where: short stacking energy: -62.296 Base-Backbone interact. energy: -0.000 local terms energy: -71.005876 where: bonds (distance) C4'-P energy: -12.983 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -18.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -185.643538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.643538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.643538 (E_RNA) where: Base-Base interactions energy: -124.117 where: short stacking energy: -53.726 Base-Backbone interact. energy: -0.169 local terms energy: -61.357720 where: bonds (distance) C4'-P energy: -14.558 bonds (distance) P-C4' energy: -13.136 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -6.437 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: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -184.993602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.993602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.993602 (E_RNA) where: Base-Base interactions energy: -114.830 where: short stacking energy: -62.764 Base-Backbone interact. energy: -0.003 local terms energy: -70.160630 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -11.619 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -18.348 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: 4, replica: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -157.002248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.002248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.002248 (E_RNA) where: Base-Base interactions energy: -94.517 where: short stacking energy: -43.938 Base-Backbone interact. energy: -0.170 local terms energy: -62.315065 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -15.290 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -10.978 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: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -160.613393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.613393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.613393 (E_RNA) where: Base-Base interactions energy: -104.738 where: short stacking energy: -50.108 Base-Backbone interact. energy: -0.803 local terms energy: -55.073015 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -12.387 flat angles C4'-P-C4' energy: -13.142 flat angles P-C4'-P energy: -7.413 tors. eta vs tors. theta energy: -10.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -81.713999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.713999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.713999 (E_RNA) where: Base-Base interactions energy: -35.912 where: short stacking energy: -33.198 Base-Backbone interact. energy: -0.238 local terms energy: -45.564190 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -14.221 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -0.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -85.859213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.859213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.859213 (E_RNA) where: Base-Base interactions energy: -34.594 where: short stacking energy: -33.109 Base-Backbone interact. energy: -0.107 local terms energy: -51.158227 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -12.241 flat angles P-C4'-P energy: -11.827 tors. eta vs tors. theta energy: -2.446 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: 5 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -82.506187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.506187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.506187 (E_RNA) where: Base-Base interactions energy: -46.365 where: short stacking energy: -18.491 Base-Backbone interact. energy: -0.145 local terms energy: -35.996619 where: bonds (distance) C4'-P energy: -10.479 bonds (distance) P-C4' energy: -9.194 flat angles C4'-P-C4' energy: -9.600 flat angles P-C4'-P energy: -6.654 tors. eta vs tors. theta energy: -0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -70.048720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.048720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.048720 (E_RNA) where: Base-Base interactions energy: -29.627 where: short stacking energy: -26.858 Base-Backbone interact. energy: -0.760 local terms energy: -39.661773 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -5.731 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -69.342212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.342212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.342212 (E_RNA) where: Base-Base interactions energy: -34.954 where: short stacking energy: -18.000 Base-Backbone interact. energy: 1.227 local terms energy: -35.614985 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: 3.139 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: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -183.298767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.298767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.298767 (E_RNA) where: Base-Base interactions energy: -113.954 where: short stacking energy: -59.043 Base-Backbone interact. energy: -0.415 local terms energy: -68.929615 where: bonds (distance) C4'-P energy: -11.319 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -12.796 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: 2, replica: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -182.142340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.142340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.142340 (E_RNA) where: Base-Base interactions energy: -116.751 where: short stacking energy: -46.808 Base-Backbone interact. energy: -0.645 local terms energy: -64.746699 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -12.621 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: 7 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -176.445971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.445971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.445971 (E_RNA) where: Base-Base interactions energy: -107.378 where: short stacking energy: -58.859 Base-Backbone interact. energy: -0.327 local terms energy: -68.740500 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -15.852 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -10.588 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: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -160.067702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.067702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.067702 (E_RNA) where: Base-Base interactions energy: -96.970 where: short stacking energy: -41.670 Base-Backbone interact. energy: -0.038 local terms energy: -63.059206 where: bonds (distance) C4'-P energy: -10.264 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -13.406 flat angles P-C4'-P energy: -12.393 tors. eta vs tors. theta energy: -11.462 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: 5, replica: 9 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -148.712288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.712288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.712288 (E_RNA) where: Base-Base interactions energy: -97.116 where: short stacking energy: -43.666 Base-Backbone interact. energy: -0.447 local terms energy: -51.148630 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -15.316 flat angles C4'-P-C4' energy: -10.676 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -6.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -85.456430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.456430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.456430 (E_RNA) where: Base-Base interactions energy: -30.148 where: short stacking energy: -30.148 Base-Backbone interact. energy: -0.001 local terms energy: -55.307227 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -14.988 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -9.791 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: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -91.301078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.301078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.301078 (E_RNA) where: Base-Base interactions energy: -40.301 where: short stacking energy: -28.883 Base-Backbone interact. energy: -0.427 local terms energy: -50.572650 where: bonds (distance) C4'-P energy: -12.867 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -9.094 tors. eta vs tors. theta energy: -7.107 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: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -86.802099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.802099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.802099 (E_RNA) where: Base-Base interactions energy: -33.971 where: short stacking energy: -18.904 Base-Backbone interact. energy: -0.182 local terms energy: -52.648838 where: bonds (distance) C4'-P energy: -13.777 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -10.390 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -4.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -90.484187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.484187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.484187 (E_RNA) where: Base-Base interactions energy: -36.890 where: short stacking energy: -27.239 Base-Backbone interact. energy: -0.314 local terms energy: -53.279844 where: bonds (distance) C4'-P energy: -15.757 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -10.762 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: -7.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -72.624035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.624035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.624035 (E_RNA) where: Base-Base interactions energy: -22.922 where: short stacking energy: -22.538 Base-Backbone interact. energy: 0.699 local terms energy: -50.400349 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -11.859 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -195.458428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.458428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.458428 (E_RNA) where: Base-Base interactions energy: -129.865 where: short stacking energy: -54.718 Base-Backbone interact. energy: -0.053 local terms energy: -65.540375 where: bonds (distance) C4'-P energy: -11.704 bonds (distance) P-C4' energy: -10.476 flat angles C4'-P-C4' energy: -16.592 flat angles P-C4'-P energy: -10.357 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: 2, replica: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -182.113956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.113956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.113956 (E_RNA) where: Base-Base interactions energy: -116.204 where: short stacking energy: -60.981 Base-Backbone interact. energy: -0.401 local terms energy: -65.508579 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -12.281 flat angles P-C4'-P energy: -6.241 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: 3, replica: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -174.481677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.481677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.481677 (E_RNA) where: Base-Base interactions energy: -115.896 where: short stacking energy: -53.923 Base-Backbone interact. energy: -0.014 local terms energy: -58.571149 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -14.674 flat angles P-C4'-P energy: -5.857 tors. eta vs tors. theta energy: -12.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -161.771732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.771732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.771732 (E_RNA) where: Base-Base interactions energy: -99.984 where: short stacking energy: -46.496 Base-Backbone interact. energy: -0.126 local terms energy: -61.661423 where: bonds (distance) C4'-P energy: -7.780 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -15.506 flat angles P-C4'-P energy: -12.713 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: 5, replica: 9 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -149.288484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.288484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.288484 (E_RNA) where: Base-Base interactions energy: -92.213 where: short stacking energy: -46.574 Base-Backbone interact. energy: -0.434 local terms energy: -56.641598 where: bonds (distance) C4'-P energy: -11.277 bonds (distance) P-C4' energy: -14.068 flat angles C4'-P-C4' energy: -11.285 flat angles P-C4'-P energy: -8.448 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: 6, replica: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -91.022007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.022007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.022007 (E_RNA) where: Base-Base interactions energy: -35.842 where: short stacking energy: -34.989 Base-Backbone interact. energy: -0.088 local terms energy: -55.092174 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -13.492 flat angles P-C4'-P energy: -3.949 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: 7, replica: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -75.018116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.018116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.018116 (E_RNA) where: Base-Base interactions energy: -28.680 where: short stacking energy: -25.500 Base-Backbone interact. energy: 0.186 local terms energy: -46.524101 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -13.656 flat angles C4'-P-C4' energy: -10.362 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -2.224 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: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -67.736035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.736035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.736035 (E_RNA) where: Base-Base interactions energy: -30.031 where: short stacking energy: -29.557 Base-Backbone interact. energy: -0.049 local terms energy: -37.655532 where: bonds (distance) C4'-P energy: -7.627 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -9.861 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: 0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -68.623471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.623471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.623471 (E_RNA) where: Base-Base interactions energy: -30.868 where: short stacking energy: -26.882 Base-Backbone interact. energy: -0.041 local terms energy: -37.714495 where: bonds (distance) C4'-P energy: -3.910 bonds (distance) P-C4' energy: -15.911 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -3.798 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: 10, replica: 5 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -86.474942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.474942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.474942 (E_RNA) where: Base-Base interactions energy: -43.572 where: short stacking energy: -20.648 Base-Backbone interact. energy: -0.234 local terms energy: -42.668853 where: bonds (distance) C4'-P energy: -6.562 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -13.210 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -4.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -177.886338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.886338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.886338 (E_RNA) where: Base-Base interactions energy: -116.695 where: short stacking energy: -45.774 Base-Backbone interact. energy: -0.646 local terms energy: -60.546001 where: bonds (distance) C4'-P energy: -14.135 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -14.472 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -12.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -175.034218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.034218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.034218 (E_RNA) where: Base-Base interactions energy: -111.774 where: short stacking energy: -56.742 Base-Backbone interact. energy: 1.253 local terms energy: -64.513622 where: bonds (distance) C4'-P energy: -12.565 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -12.045 flat angles P-C4'-P energy: -9.205 tors. eta vs tors. theta energy: -17.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -165.277250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.277250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.277250 (E_RNA) where: Base-Base interactions energy: -94.658 where: short stacking energy: -52.257 Base-Backbone interact. energy: -0.001 local terms energy: -70.618824 where: bonds (distance) C4'-P energy: -14.813 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -15.481 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -14.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -169.110726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.110726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.110726 (E_RNA) where: Base-Base interactions energy: -104.293 where: short stacking energy: -51.161 Base-Backbone interact. energy: -0.001 local terms energy: -64.817215 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -12.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -134.450626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.450626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.450626 (E_RNA) where: Base-Base interactions energy: -81.695 where: short stacking energy: -35.860 Base-Backbone interact. energy: -0.307 local terms energy: -52.449196 where: bonds (distance) C4'-P energy: -15.137 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -11.858 flat angles P-C4'-P energy: -7.731 tors. eta vs tors. theta energy: -3.804 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: 2 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -94.169911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.169911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.169911 (E_RNA) where: Base-Base interactions energy: -40.582 where: short stacking energy: -26.524 Base-Backbone interact. energy: -0.346 local terms energy: -53.242377 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -12.464 flat angles C4'-P-C4' energy: -12.736 flat angles P-C4'-P energy: -12.860 tors. eta vs tors. theta energy: -2.221 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: 7, replica: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -77.729447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.729447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.729447 (E_RNA) where: Base-Base interactions energy: -26.097 where: short stacking energy: -15.338 Base-Backbone interact. energy: -0.591 local terms energy: -51.041399 where: bonds (distance) C4'-P energy: -13.336 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -14.963 flat angles P-C4'-P energy: -9.236 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: 8, replica: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -81.982209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.982209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.982209 (E_RNA) where: Base-Base interactions energy: -37.126 where: short stacking energy: -37.126 Base-Backbone interact. energy: -0.031 local terms energy: -44.825539 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -12.065 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -5.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -70.039939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.039939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.039939 (E_RNA) where: Base-Base interactions energy: -23.859 where: short stacking energy: -23.859 Base-Backbone interact. energy: -0.163 local terms energy: -46.017474 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -9.423 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -72.914856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.914856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.914856 (E_RNA) where: Base-Base interactions energy: -26.080 where: short stacking energy: -21.452 Base-Backbone interact. energy: -0.076 local terms energy: -46.758111 where: bonds (distance) C4'-P energy: -12.875 bonds (distance) P-C4' energy: -10.288 flat angles C4'-P-C4' energy: -14.356 flat angles P-C4'-P energy: -10.026 tors. eta vs tors. theta energy: 0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -179.662426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.662426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.662426 (E_RNA) where: Base-Base interactions energy: -115.918 where: short stacking energy: -55.923 Base-Backbone interact. energy: -0.281 local terms energy: -63.463434 where: bonds (distance) C4'-P energy: -14.847 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -10.469 flat angles P-C4'-P energy: -6.267 tors. eta vs tors. theta energy: -18.840 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: 3 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -167.984595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.984595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.984595 (E_RNA) where: Base-Base interactions energy: -110.817 where: short stacking energy: -56.803 Base-Backbone interact. energy: -0.579 local terms energy: -56.588202 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -10.741 flat angles C4'-P-C4' energy: -14.955 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -14.465 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: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -180.114165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.114165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.114165 (E_RNA) where: Base-Base interactions energy: -110.288 where: short stacking energy: -55.989 Base-Backbone interact. energy: -0.223 local terms energy: -69.603191 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -15.042 flat angles P-C4'-P energy: -10.346 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: 4, replica: 7 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -159.406114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.406114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.406114 (E_RNA) where: Base-Base interactions energy: -94.742 where: short stacking energy: -44.696 Base-Backbone interact. energy: -1.604 local terms energy: -63.059739 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -11.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -141.188556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.188556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.188556 (E_RNA) where: Base-Base interactions energy: -85.532 where: short stacking energy: -39.691 Base-Backbone interact. energy: -0.094 local terms energy: -55.562733 where: bonds (distance) C4'-P energy: -10.192 bonds (distance) P-C4' energy: -11.035 flat angles C4'-P-C4' energy: -14.945 flat angles P-C4'-P energy: -7.523 tors. eta vs tors. theta energy: -11.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -82.606774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.606774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.606774 (E_RNA) where: Base-Base interactions energy: -39.120 where: short stacking energy: -28.736 Base-Backbone interact. energy: -0.464 local terms energy: -43.023010 where: bonds (distance) C4'-P energy: -13.804 bonds (distance) P-C4' energy: -11.575 flat angles C4'-P-C4' energy: -10.971 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -83.613271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.613271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.613271 (E_RNA) where: Base-Base interactions energy: -30.449 where: short stacking energy: -30.449 Base-Backbone interact. energy: -0.011 local terms energy: -53.153586 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -16.586 flat angles C4'-P-C4' energy: -11.258 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -5.460 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: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -80.725123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.725123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.725123 (E_RNA) where: Base-Base interactions energy: -36.844 where: short stacking energy: -26.001 Base-Backbone interact. energy: -0.031 local terms energy: -43.850306 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -11.612 flat angles C4'-P-C4' energy: -10.411 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -5.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -68.201523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.201523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.201523 (E_RNA) where: Base-Base interactions energy: -17.724 where: short stacking energy: -17.724 Base-Backbone interact. energy: -0.079 local terms energy: -50.397751 where: bonds (distance) C4'-P energy: -15.881 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -7.243 tors. eta vs tors. theta energy: 0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -73.518080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.518080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.518080 (E_RNA) where: Base-Base interactions energy: -27.739 where: short stacking energy: -27.120 Base-Backbone interact. energy: -0.193 local terms energy: -45.586574 where: bonds (distance) C4'-P energy: -8.382 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -10.964 flat angles P-C4'-P energy: -10.385 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: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -178.532445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.532445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.532445 (E_RNA) where: Base-Base interactions energy: -112.775 where: short stacking energy: -59.318 Base-Backbone interact. energy: -0.680 local terms energy: -65.077374 where: bonds (distance) C4'-P energy: -12.204 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -15.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -178.641685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.641685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.641685 (E_RNA) where: Base-Base interactions energy: -106.092 where: short stacking energy: -56.877 Base-Backbone interact. energy: -0.102 local terms energy: -72.447697 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -16.190 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -18.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -166.217030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.217030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.217030 (E_RNA) where: Base-Base interactions energy: -106.194 where: short stacking energy: -45.609 Base-Backbone interact. energy: 0.497 local terms energy: -60.519784 where: bonds (distance) C4'-P energy: -10.673 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -15.418 flat angles P-C4'-P energy: -9.011 tors. eta vs tors. theta energy: -12.926 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: 9 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -151.152074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.152074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.152074 (E_RNA) where: Base-Base interactions energy: -102.269 where: short stacking energy: -45.434 Base-Backbone interact. energy: -0.190 local terms energy: -48.692671 where: bonds (distance) C4'-P energy: -9.515 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -13.266 flat angles P-C4'-P energy: -4.774 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: 5, replica: 7 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -167.033224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.033224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.033224 (E_RNA) where: Base-Base interactions energy: -100.228 where: short stacking energy: -51.954 Base-Backbone interact. energy: -0.601 local terms energy: -66.204087 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -13.774 flat angles C4'-P-C4' energy: -15.633 flat angles P-C4'-P energy: -8.801 tors. eta vs tors. theta energy: -14.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -89.553168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.553168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.553168 (E_RNA) where: Base-Base interactions energy: -41.422 where: short stacking energy: -32.245 Base-Backbone interact. energy: -0.115 local terms energy: -48.016080 where: bonds (distance) C4'-P energy: -11.344 bonds (distance) P-C4' energy: -11.534 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -7.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -81.412519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.412519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.412519 (E_RNA) where: Base-Base interactions energy: -34.670 where: short stacking energy: -14.530 Base-Backbone interact. energy: -1.837 local terms energy: -44.904985 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -15.248 flat angles C4'-P-C4' energy: -9.793 flat angles P-C4'-P energy: -10.566 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: 8, replica: 5 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -79.171630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.171630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.171630 (E_RNA) where: Base-Base interactions energy: -29.390 where: short stacking energy: -29.390 Base-Backbone interact. energy: -0.179 local terms energy: -49.602890 where: bonds (distance) C4'-P energy: -12.825 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -11.116 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -6.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -73.548834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.548834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.548834 (E_RNA) where: Base-Base interactions energy: -28.109 where: short stacking energy: -22.304 Base-Backbone interact. energy: -0.141 local terms energy: -45.298821 where: bonds (distance) C4'-P energy: -14.646 bonds (distance) P-C4' energy: -8.014 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -0.466 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: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -62.297403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.297403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.297403 (E_RNA) where: Base-Base interactions energy: -20.236 where: short stacking energy: -19.905 Base-Backbone interact. energy: -0.281 local terms energy: -41.780105 where: bonds (distance) C4'-P energy: -8.033 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -175.366104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.366104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.366104 (E_RNA) where: Base-Base interactions energy: -114.476 where: short stacking energy: -52.644 Base-Backbone interact. energy: -0.316 local terms energy: -60.573838 where: bonds (distance) C4'-P energy: -15.048 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -8.220 tors. eta vs tors. theta energy: -11.670 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: 6 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -164.307915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.307915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.307915 (E_RNA) where: Base-Base interactions energy: -101.889 where: short stacking energy: -49.947 Base-Backbone interact. energy: -0.846 local terms energy: -61.573551 where: bonds (distance) C4'-P energy: -15.733 bonds (distance) P-C4' energy: -15.346 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -6.138 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: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -169.716495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.716495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.716495 (E_RNA) where: Base-Base interactions energy: -104.329 where: short stacking energy: -51.930 Base-Backbone interact. energy: -0.004 local terms energy: -65.383136 where: bonds (distance) C4'-P energy: -11.140 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -14.342 flat angles P-C4'-P energy: -11.279 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: 4, replica: 3 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -165.757674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.757674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.757674 (E_RNA) where: Base-Base interactions energy: -104.699 where: short stacking energy: -44.235 Base-Backbone interact. energy: -0.139 local terms energy: -60.919463 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -10.523 tors. eta vs tors. theta energy: -12.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -153.776358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.776358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.776358 (E_RNA) where: Base-Base interactions energy: -99.076 where: short stacking energy: -44.020 Base-Backbone interact. energy: -0.029 local terms energy: -54.671619 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -12.748 flat angles C4'-P-C4' energy: -8.452 flat angles P-C4'-P energy: -8.646 tors. eta vs tors. theta energy: -13.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -97.867137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.867137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.867137 (E_RNA) where: Base-Base interactions energy: -43.591 where: short stacking energy: -32.911 Base-Backbone interact. energy: -0.643 local terms energy: -53.633060 where: bonds (distance) C4'-P energy: -11.315 bonds (distance) P-C4' energy: -12.061 flat angles C4'-P-C4' energy: -14.803 flat angles P-C4'-P energy: -10.448 tors. eta vs tors. theta energy: -5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -86.736593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.736593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.736593 (E_RNA) where: Base-Base interactions energy: -33.066 where: short stacking energy: -33.066 Base-Backbone interact. energy: -0.254 local terms energy: -53.415863 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -14.042 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -6.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -74.556226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.556226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.556226 (E_RNA) where: Base-Base interactions energy: -23.098 where: short stacking energy: -22.924 Base-Backbone interact. energy: -0.091 local terms energy: -51.367235 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -4.953 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: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -68.958273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.958273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.958273 (E_RNA) where: Base-Base interactions energy: -26.464 where: short stacking energy: -26.050 Base-Backbone interact. energy: -0.067 local terms energy: -42.427725 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -6.021 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: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -73.294834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.294834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.294834 (E_RNA) where: Base-Base interactions energy: -28.516 where: short stacking energy: -28.516 Base-Backbone interact. energy: -0.259 local terms energy: -44.519278 where: bonds (distance) C4'-P energy: -7.618 bonds (distance) P-C4' energy: -15.612 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -8.084 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -171.751563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.751563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.751563 (E_RNA) where: Base-Base interactions energy: -110.796 where: short stacking energy: -43.686 Base-Backbone interact. energy: -0.172 local terms energy: -60.783256 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -11.865 flat angles P-C4'-P energy: -10.718 tors. eta vs tors. theta energy: -10.754 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: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -174.505848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.505848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.505848 (E_RNA) where: Base-Base interactions energy: -110.942 where: short stacking energy: -58.745 Base-Backbone interact. energy: 0.147 local terms energy: -63.710502 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -14.070 flat angles C4'-P-C4' energy: -13.618 flat angles P-C4'-P energy: -11.214 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: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -165.346412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.346412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.346412 (E_RNA) where: Base-Base interactions energy: -101.188 where: short stacking energy: -43.847 Base-Backbone interact. energy: -0.123 local terms energy: -64.035256 where: bonds (distance) C4'-P energy: -12.616 bonds (distance) P-C4' energy: -17.157 flat angles C4'-P-C4' energy: -15.768 flat angles P-C4'-P energy: -5.796 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: 4, replica: 7 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -160.039992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.039992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.039992 (E_RNA) where: Base-Base interactions energy: -99.147 where: short stacking energy: -45.233 Base-Backbone interact. energy: 0.405 local terms energy: -61.297914 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -13.413 flat angles P-C4'-P energy: -8.679 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: 5, replica: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -160.716472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.716472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.716472 (E_RNA) where: Base-Base interactions energy: -98.896 where: short stacking energy: -48.318 Base-Backbone interact. energy: -0.789 local terms energy: -61.031055 where: bonds (distance) C4'-P energy: -10.483 bonds (distance) P-C4' energy: -11.931 flat angles C4'-P-C4' energy: -15.448 flat angles P-C4'-P energy: -9.344 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: 6, replica: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -81.023520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.023520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.023520 (E_RNA) where: Base-Base interactions energy: -33.105 where: short stacking energy: -30.267 Base-Backbone interact. energy: -0.282 local terms energy: -47.636377 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -9.456 flat angles P-C4'-P energy: -6.013 tors. eta vs tors. theta energy: -8.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -85.209225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.209225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.209225 (E_RNA) where: Base-Base interactions energy: -37.040 where: short stacking energy: -14.080 Base-Backbone interact. energy: -0.179 local terms energy: -47.989987 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -15.924 flat angles C4'-P-C4' energy: -9.599 flat angles P-C4'-P energy: -10.226 tors. eta vs tors. theta energy: 2.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -72.850446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.850446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.850446 (E_RNA) where: Base-Base interactions energy: -29.368 where: short stacking energy: -29.368 Base-Backbone interact. energy: -0.052 local terms energy: -43.430616 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -13.181 flat angles C4'-P-C4' energy: -11.854 flat angles P-C4'-P energy: -5.312 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: 2 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -86.111693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.111693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.111693 (E_RNA) where: Base-Base interactions energy: -39.822 where: short stacking energy: -20.777 Base-Backbone interact. energy: -0.370 local terms energy: -45.919973 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -11.295 flat angles C4'-P-C4' energy: -13.894 flat angles P-C4'-P energy: -8.659 tors. eta vs tors. theta energy: 2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -77.022683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.022683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.022683 (E_RNA) where: Base-Base interactions energy: -25.909 where: short stacking energy: -23.744 Base-Backbone interact. energy: -0.303 local terms energy: -50.810248 where: bonds (distance) C4'-P energy: -9.235 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -10.051 flat angles P-C4'-P energy: -8.364 tors. eta vs tors. theta energy: -7.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -182.473250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.473250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.473250 (E_RNA) where: Base-Base interactions energy: -109.943 where: short stacking energy: -62.982 Base-Backbone interact. energy: -0.004 local terms energy: -72.525649 where: bonds (distance) C4'-P energy: -12.200 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -16.282 flat angles P-C4'-P energy: -11.334 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: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -165.896677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.896677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.896677 (E_RNA) where: Base-Base interactions energy: -100.029 where: short stacking energy: -45.040 Base-Backbone interact. energy: -0.412 local terms energy: -65.455165 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -13.515 flat angles P-C4'-P energy: -9.788 tors. eta vs tors. theta energy: -13.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -161.884294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.884294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.884294 (E_RNA) where: Base-Base interactions energy: -105.548 where: short stacking energy: -48.895 Base-Backbone interact. energy: -0.918 local terms energy: -55.418081 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -7.280 tors. eta vs tors. theta energy: -9.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -164.494866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.494866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.494866 (E_RNA) where: Base-Base interactions energy: -99.095 where: short stacking energy: -44.944 Base-Backbone interact. energy: -0.032 local terms energy: -65.368065 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -16.000 flat angles C4'-P-C4' energy: -13.628 flat angles P-C4'-P energy: -10.516 tors. eta vs tors. theta energy: -12.315 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: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -151.955539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.955539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.955539 (E_RNA) where: Base-Base interactions energy: -91.251 where: short stacking energy: -40.324 Base-Backbone interact. energy: -0.410 local terms energy: -60.294791 where: bonds (distance) C4'-P energy: -15.198 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -9.526 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -11.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -86.048924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.048924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.048924 (E_RNA) where: Base-Base interactions energy: -40.389 where: short stacking energy: -38.218 Base-Backbone interact. energy: -0.243 local terms energy: -45.417228 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -14.966 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -6.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -86.421807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.421807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.421807 (E_RNA) where: Base-Base interactions energy: -35.159 where: short stacking energy: -29.558 Base-Backbone interact. energy: -0.031 local terms energy: -51.231557 where: bonds (distance) C4'-P energy: -9.204 bonds (distance) P-C4' energy: -17.116 flat angles C4'-P-C4' energy: -9.334 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -7.226 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: 8, replica: 4 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -75.843578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.843578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.843578 (E_RNA) where: Base-Base interactions energy: -24.103 where: short stacking energy: -24.103 Base-Backbone interact. energy: -0.285 local terms energy: -51.455024 where: bonds (distance) C4'-P energy: -9.868 bonds (distance) P-C4' energy: -16.460 flat angles C4'-P-C4' energy: -11.937 flat angles P-C4'-P energy: -7.726 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: 9, replica: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -86.494357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.494357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.494357 (E_RNA) where: Base-Base interactions energy: -37.984 where: short stacking energy: -23.215 Base-Backbone interact. energy: -0.102 local terms energy: -48.408582 where: bonds (distance) C4'-P energy: -11.154 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -12.235 flat angles P-C4'-P energy: -8.911 tors. eta vs tors. theta energy: -2.238 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: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -71.725265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.725265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.725265 (E_RNA) where: Base-Base interactions energy: -25.801 where: short stacking energy: -20.068 Base-Backbone interact. energy: -0.416 local terms energy: -45.508649 where: bonds (distance) C4'-P energy: -7.403 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -11.355 flat angles P-C4'-P energy: -12.133 tors. eta vs tors. theta energy: 0.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -175.808198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.808198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.808198 (E_RNA) where: Base-Base interactions energy: -105.833 where: short stacking energy: -56.204 Base-Backbone interact. energy: -0.041 local terms energy: -69.934046 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -14.515 flat angles C4'-P-C4' energy: -14.801 flat angles P-C4'-P energy: -11.784 tors. eta vs tors. theta energy: -16.237 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: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -155.107674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.107674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.107674 (E_RNA) where: Base-Base interactions energy: -92.367 where: short stacking energy: -45.982 Base-Backbone interact. energy: -0.345 local terms energy: -62.396015 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -11.179 tors. eta vs tors. theta energy: -9.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -165.065486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.065486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.065486 (E_RNA) where: Base-Base interactions energy: -96.147 where: short stacking energy: -40.452 Base-Backbone interact. energy: -0.119 local terms energy: -68.799759 where: bonds (distance) C4'-P energy: -14.759 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -12.595 tors. eta vs tors. theta energy: -11.746 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: 169 Temperature: 1.050000 Total energy: -171.045964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.045964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.045964 (E_RNA) where: Base-Base interactions energy: -102.309 where: short stacking energy: -60.683 Base-Backbone interact. energy: -0.587 local terms energy: -68.150854 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -14.817 flat angles P-C4'-P energy: -7.872 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: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -146.670401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.670401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.670401 (E_RNA) where: Base-Base interactions energy: -86.105 where: short stacking energy: -45.678 Base-Backbone interact. energy: 1.572 local terms energy: -62.137730 where: bonds (distance) C4'-P energy: -15.132 bonds (distance) P-C4' energy: -12.358 flat angles C4'-P-C4' energy: -11.285 flat angles P-C4'-P energy: -11.964 tors. eta vs tors. theta energy: -11.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -94.611732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.611732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.611732 (E_RNA) where: Base-Base interactions energy: -44.442 where: short stacking energy: -27.261 Base-Backbone interact. energy: -0.781 local terms energy: -49.388319 where: bonds (distance) C4'-P energy: -11.517 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -9.720 tors. eta vs tors. theta energy: -2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -77.372031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.372031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.372031 (E_RNA) where: Base-Base interactions energy: -31.626 where: short stacking energy: -27.286 Base-Backbone interact. energy: -0.175 local terms energy: -45.571606 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -12.799 flat angles C4'-P-C4' energy: -10.654 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: 2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -84.492895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.492895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.492895 (E_RNA) where: Base-Base interactions energy: -25.890 where: short stacking energy: -25.890 Base-Backbone interact. energy: -0.006 local terms energy: -58.596524 where: bonds (distance) C4'-P energy: -15.749 bonds (distance) P-C4' energy: -13.313 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -6.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -73.384500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.384500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.384500 (E_RNA) where: Base-Base interactions energy: -29.560 where: short stacking energy: -29.023 Base-Backbone interact. energy: -0.177 local terms energy: -43.646998 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -12.282 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -1.495 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: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -68.844871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.844871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.844871 (E_RNA) where: Base-Base interactions energy: -24.178 where: short stacking energy: -24.178 Base-Backbone interact. energy: -0.168 local terms energy: -44.498042 where: bonds (distance) C4'-P energy: -15.235 bonds (distance) P-C4' energy: -12.577 flat angles C4'-P-C4' energy: -11.215 flat angles P-C4'-P energy: -0.893 tors. eta vs tors. theta energy: -4.577 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: 6 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -170.734238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.734238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.734238 (E_RNA) where: Base-Base interactions energy: -99.106 where: short stacking energy: -51.357 Base-Backbone interact. energy: -0.890 local terms energy: -70.738058 where: bonds (distance) C4'-P energy: -13.629 bonds (distance) P-C4' energy: -15.644 flat angles C4'-P-C4' energy: -15.469 flat angles P-C4'-P energy: -11.186 tors. eta vs tors. theta energy: -14.810 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: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -166.108819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.108819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.108819 (E_RNA) where: Base-Base interactions energy: -105.013 where: short stacking energy: -51.416 Base-Backbone interact. energy: -1.009 local terms energy: -60.086853 where: bonds (distance) C4'-P energy: -13.327 bonds (distance) P-C4' energy: -14.547 flat angles C4'-P-C4' energy: -10.980 flat angles P-C4'-P energy: -10.480 tors. eta vs tors. theta energy: -10.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -176.582708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.582708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.582708 (E_RNA) where: Base-Base interactions energy: -111.200 where: short stacking energy: -50.136 Base-Backbone interact. energy: -0.452 local terms energy: -64.930611 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -12.169 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -11.063 tors. eta vs tors. theta energy: -16.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -168.409072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.409072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.409072 (E_RNA) where: Base-Base interactions energy: -104.249 where: short stacking energy: -58.078 Base-Backbone interact. energy: -0.576 local terms energy: -63.583177 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -12.359 flat angles C4'-P-C4' energy: -10.075 flat angles P-C4'-P energy: -11.135 tors. eta vs tors. theta energy: -15.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -151.390362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.390362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.390362 (E_RNA) where: Base-Base interactions energy: -101.191 where: short stacking energy: -42.396 Base-Backbone interact. energy: -0.188 local terms energy: -50.010738 where: bonds (distance) C4'-P energy: -11.434 bonds (distance) P-C4' energy: -13.630 flat angles C4'-P-C4' energy: -10.206 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -10.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -86.107813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.107813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.107813 (E_RNA) where: Base-Base interactions energy: -36.812 where: short stacking energy: -31.176 Base-Backbone interact. energy: -0.111 local terms energy: -49.185434 where: bonds (distance) C4'-P energy: -11.628 bonds (distance) P-C4' energy: -11.407 flat angles C4'-P-C4' energy: -10.234 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -8.201 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: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -92.471163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.471163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.471163 (E_RNA) where: Base-Base interactions energy: -43.950 where: short stacking energy: -29.095 Base-Backbone interact. energy: -0.987 local terms energy: -47.534202 where: bonds (distance) C4'-P energy: -10.292 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -12.397 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -72.872942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.872942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.872942 (E_RNA) where: Base-Base interactions energy: -32.139 where: short stacking energy: -32.139 Base-Backbone interact. energy: -0.098 local terms energy: -40.635406 where: bonds (distance) C4'-P energy: -8.894 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -4.590 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: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -92.423121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.423121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.423121 (E_RNA) where: Base-Base interactions energy: -46.108 where: short stacking energy: -29.480 Base-Backbone interact. energy: -0.086 local terms energy: -46.228585 where: bonds (distance) C4'-P energy: -10.893 bonds (distance) P-C4' energy: -15.071 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -7.240 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -81.270210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.270210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.270210 (E_RNA) where: Base-Base interactions energy: -42.892 where: short stacking energy: -29.052 Base-Backbone interact. energy: 1.797 local terms energy: -40.174743 where: bonds (distance) C4'-P energy: -13.940 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -11.168 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -172.205243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.205243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.205243 (E_RNA) where: Base-Base interactions energy: -106.275 where: short stacking energy: -55.251 Base-Backbone interact. energy: -0.003 local terms energy: -65.926916 where: bonds (distance) C4'-P energy: -11.447 bonds (distance) P-C4' energy: -14.510 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -10.915 tors. eta vs tors. theta energy: -15.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -177.610664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.610664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.610664 (E_RNA) where: Base-Base interactions energy: -107.332 where: short stacking energy: -57.656 Base-Backbone interact. energy: -0.043 local terms energy: -70.235620 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -14.564 flat angles C4'-P-C4' energy: -13.808 flat angles P-C4'-P energy: -12.755 tors. eta vs tors. theta energy: -14.353 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: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -174.702854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.702854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.702854 (E_RNA) where: Base-Base interactions energy: -105.900 where: short stacking energy: -53.844 Base-Backbone interact. energy: -0.055 local terms energy: -68.748173 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -11.636 flat angles C4'-P-C4' energy: -15.915 flat angles P-C4'-P energy: -10.453 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: 1 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -168.061239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.061239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.061239 (E_RNA) where: Base-Base interactions energy: -101.121 where: short stacking energy: -42.645 Base-Backbone interact. energy: -0.049 local terms energy: -66.892209 where: bonds (distance) C4'-P energy: -15.379 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -14.824 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -16.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -166.336414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.336414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.336414 (E_RNA) where: Base-Base interactions energy: -107.861 where: short stacking energy: -48.972 Base-Backbone interact. energy: -1.020 local terms energy: -57.455363 where: bonds (distance) C4'-P energy: -8.363 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -14.242 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -14.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -107.600768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.600768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.600768 (E_RNA) where: Base-Base interactions energy: -48.077 where: short stacking energy: -30.779 Base-Backbone interact. energy: 0.581 local terms energy: -60.105130 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -10.998 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -8.664 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: 7, replica: 10 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -102.750292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.750292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.750292 (E_RNA) where: Base-Base interactions energy: -57.256 where: short stacking energy: -36.793 Base-Backbone interact. energy: -0.179 local terms energy: -45.315179 where: bonds (distance) C4'-P energy: -11.828 bonds (distance) P-C4' energy: -13.022 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -80.196413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.196413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.196413 (E_RNA) where: Base-Base interactions energy: -31.689 where: short stacking energy: -31.689 Base-Backbone interact. energy: -0.024 local terms energy: -48.482920 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -5.736 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: 5 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -83.084846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.084846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.084846 (E_RNA) where: Base-Base interactions energy: -30.220 where: short stacking energy: -21.689 Base-Backbone interact. energy: 0.034 local terms energy: -52.899289 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -66.513803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.513803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.513803 (E_RNA) where: Base-Base interactions energy: -22.816 where: short stacking energy: -12.304 Base-Backbone interact. energy: -0.014 local terms energy: -43.684292 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -10.983 flat angles P-C4'-P energy: -9.557 tors. eta vs tors. theta energy: 1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -182.078588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.078588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.078588 (E_RNA) where: Base-Base interactions energy: -110.207 where: short stacking energy: -58.578 Base-Backbone interact. energy: -0.002 local terms energy: -71.869773 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -14.116 flat angles P-C4'-P energy: -9.863 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: 2, replica: 3 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -172.437004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.437004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.437004 (E_RNA) where: Base-Base interactions energy: -107.044 where: short stacking energy: -60.205 Base-Backbone interact. energy: -1.059 local terms energy: -64.333595 where: bonds (distance) C4'-P energy: -14.374 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -14.552 flat angles P-C4'-P energy: -9.889 tors. eta vs tors. theta energy: -12.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -171.428720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.428720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.428720 (E_RNA) where: Base-Base interactions energy: -112.300 where: short stacking energy: -57.697 Base-Backbone interact. energy: -0.041 local terms energy: -59.087947 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -14.024 flat angles C4'-P-C4' energy: -14.706 flat angles P-C4'-P energy: -4.830 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: 4, replica: 9 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -179.860056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.860056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.860056 (E_RNA) where: Base-Base interactions energy: -112.976 where: short stacking energy: -55.194 Base-Backbone interact. energy: -0.308 local terms energy: -66.576172 where: bonds (distance) C4'-P energy: -13.921 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -14.046 flat angles P-C4'-P energy: -8.336 tors. eta vs tors. theta energy: -17.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -153.841556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.841556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.841556 (E_RNA) where: Base-Base interactions energy: -95.447 where: short stacking energy: -42.683 Base-Backbone interact. energy: -1.515 local terms energy: -56.879630 where: bonds (distance) C4'-P energy: -12.267 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -9.938 flat angles P-C4'-P energy: -6.576 tors. eta vs tors. theta energy: -12.210 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: 8 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -84.037997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.037997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.037997 (E_RNA) where: Base-Base interactions energy: -31.230 where: short stacking energy: -31.230 Base-Backbone interact. energy: -0.041 local terms energy: -52.766316 where: bonds (distance) C4'-P energy: -9.990 bonds (distance) P-C4' energy: -15.612 flat angles C4'-P-C4' energy: -8.783 flat angles P-C4'-P energy: -9.208 tors. eta vs tors. theta energy: -9.173 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: 7, replica: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -87.992763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.992763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.992763 (E_RNA) where: Base-Base interactions energy: -41.041 where: short stacking energy: -29.520 Base-Backbone interact. energy: -0.364 local terms energy: -46.588055 where: bonds (distance) C4'-P energy: -14.543 bonds (distance) P-C4' energy: -11.063 flat angles C4'-P-C4' energy: -9.745 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -78.394361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.394361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.394361 (E_RNA) where: Base-Base interactions energy: -33.534 where: short stacking energy: -27.365 Base-Backbone interact. energy: -0.207 local terms energy: -44.653618 where: bonds (distance) C4'-P energy: -10.933 bonds (distance) P-C4' energy: -13.062 flat angles C4'-P-C4' energy: -11.492 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -71.956246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.956246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.956246 (E_RNA) where: Base-Base interactions energy: -29.657 where: short stacking energy: -29.070 Base-Backbone interact. energy: -0.236 local terms energy: -42.063236 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -10.605 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: 5 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -72.762812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.762812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.762812 (E_RNA) where: Base-Base interactions energy: -35.109 where: short stacking energy: -33.839 Base-Backbone interact. energy: -0.144 local terms energy: -37.510449 where: bonds (distance) C4'-P energy: -9.833 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -8.541 flat angles P-C4'-P energy: -4.745 tors. eta vs tors. theta energy: -1.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -178.983237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.983237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.983237 (E_RNA) where: Base-Base interactions energy: -117.264 where: short stacking energy: -51.818 Base-Backbone interact. energy: -0.956 local terms energy: -60.763898 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -10.455 flat angles P-C4'-P energy: -8.155 tors. eta vs tors. theta energy: -14.301 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: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -177.368614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.368614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.368614 (E_RNA) where: Base-Base interactions energy: -112.059 where: short stacking energy: -56.145 Base-Backbone interact. energy: 1.493 local terms energy: -66.802314 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -16.422 flat angles C4'-P-C4' energy: -15.919 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -12.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -166.828200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.828200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.828200 (E_RNA) where: Base-Base interactions energy: -99.232 where: short stacking energy: -52.049 Base-Backbone interact. energy: -0.632 local terms energy: -66.963970 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -15.865 flat angles C4'-P-C4' energy: -15.192 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -10.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -170.172624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.172624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.172624 (E_RNA) where: Base-Base interactions energy: -105.620 where: short stacking energy: -51.192 Base-Backbone interact. energy: 0.654 local terms energy: -65.206432 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -11.199 flat angles P-C4'-P energy: -11.131 tors. eta vs tors. theta energy: -14.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -162.384317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.384317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.384317 (E_RNA) where: Base-Base interactions energy: -107.784 where: short stacking energy: -51.079 Base-Backbone interact. energy: -0.425 local terms energy: -54.175123 where: bonds (distance) C4'-P energy: -12.772 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -13.929 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: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -104.306918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.306918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.306918 (E_RNA) where: Base-Base interactions energy: -48.657 where: short stacking energy: -38.618 Base-Backbone interact. energy: -0.044 local terms energy: -55.605255 where: bonds (distance) C4'-P energy: -9.109 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -12.144 flat angles P-C4'-P energy: -10.388 tors. eta vs tors. theta energy: -7.818 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: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -86.431795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.431795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.431795 (E_RNA) where: Base-Base interactions energy: -37.084 where: short stacking energy: -37.084 Base-Backbone interact. energy: -0.052 local terms energy: -49.296391 where: bonds (distance) C4'-P energy: -8.947 bonds (distance) P-C4' energy: -13.061 flat angles C4'-P-C4' energy: -10.773 flat angles P-C4'-P energy: -7.122 tors. eta vs tors. theta energy: -9.393 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: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -81.569225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.569225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.569225 (E_RNA) where: Base-Base interactions energy: -42.231 where: short stacking energy: -28.713 Base-Backbone interact. energy: 0.208 local terms energy: -39.546039 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -7.523 tors. eta vs tors. theta energy: -2.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -93.392730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.392730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.392730 (E_RNA) where: Base-Base interactions energy: -46.712 where: short stacking energy: -24.450 Base-Backbone interact. energy: -0.181 local terms energy: -46.499555 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -3.208 flat angles P-C4'-P energy: -11.843 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -71.166224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.166224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.166224 (E_RNA) where: Base-Base interactions energy: -29.880 where: short stacking energy: -29.880 Base-Backbone interact. energy: -0.300 local terms energy: -40.986084 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -14.069 flat angles C4'-P-C4' energy: -12.931 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -4.009 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: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -186.220351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.220351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.220351 (E_RNA) where: Base-Base interactions energy: -122.683 where: short stacking energy: -59.130 Base-Backbone interact. energy: -0.297 local terms energy: -63.240528 where: bonds (distance) C4'-P energy: -9.888 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -8.354 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: 6 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -181.476338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.476338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.476338 (E_RNA) where: Base-Base interactions energy: -123.744 where: short stacking energy: -54.269 Base-Backbone interact. energy: -0.644 local terms energy: -57.088687 where: bonds (distance) C4'-P energy: -6.928 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -9.278 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: 3, replica: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -164.765530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.765530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.765530 (E_RNA) where: Base-Base interactions energy: -97.591 where: short stacking energy: -48.982 Base-Backbone interact. energy: -0.108 local terms energy: -67.066282 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -14.204 flat angles P-C4'-P energy: -12.613 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: 4, replica: 9 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -164.367588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.367588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.367588 (E_RNA) where: Base-Base interactions energy: -102.452 where: short stacking energy: -50.369 Base-Backbone interact. energy: -0.006 local terms energy: -61.910030 where: bonds (distance) C4'-P energy: -8.639 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -15.958 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: -16.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -149.950403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.950403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.950403 (E_RNA) where: Base-Base interactions energy: -92.757 where: short stacking energy: -57.014 Base-Backbone interact. energy: -0.223 local terms energy: -56.969814 where: bonds (distance) C4'-P energy: -11.187 bonds (distance) P-C4' energy: -14.752 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -8.801 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: 6, replica: 10 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -103.379949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.379949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.379949 (E_RNA) where: Base-Base interactions energy: -49.076 where: short stacking energy: -37.358 Base-Backbone interact. energy: -0.100 local terms energy: -54.204228 where: bonds (distance) C4'-P energy: -9.712 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -10.892 flat angles P-C4'-P energy: -11.237 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -90.524015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.524015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.524015 (E_RNA) where: Base-Base interactions energy: -38.747 where: short stacking energy: -38.479 Base-Backbone interact. energy: -0.020 local terms energy: -51.756586 where: bonds (distance) C4'-P energy: -10.673 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -8.159 tors. eta vs tors. theta energy: -6.489 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: 8, replica: 8 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -77.649458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.649458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.649458 (E_RNA) where: Base-Base interactions energy: -32.771 where: short stacking energy: -22.585 Base-Backbone interact. energy: -0.136 local terms energy: -44.742126 where: bonds (distance) C4'-P energy: -9.344 bonds (distance) P-C4' energy: -10.085 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -4.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -121.361510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.361510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.361510 (E_RNA) where: Base-Base interactions energy: -75.872 where: short stacking energy: -31.253 Base-Backbone interact. energy: -0.205 local terms energy: -45.284091 where: bonds (distance) C4'-P energy: -7.158 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -7.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -67.360374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.360374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.360374 (E_RNA) where: Base-Base interactions energy: -23.831 where: short stacking energy: -23.831 Base-Backbone interact. energy: -0.167 local terms energy: -43.363291 where: bonds (distance) C4'-P energy: -12.018 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -9.138 flat angles P-C4'-P energy: -8.001 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: 1, replica: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -179.277699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.277699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.277699 (E_RNA) where: Base-Base interactions energy: -110.743 where: short stacking energy: -56.018 Base-Backbone interact. energy: -0.001 local terms energy: -68.534422 where: bonds (distance) C4'-P energy: -11.327 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -14.703 flat angles P-C4'-P energy: -10.315 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: 2, replica: 3 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -176.290733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.290733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.290733 (E_RNA) where: Base-Base interactions energy: -110.763 where: short stacking energy: -52.560 Base-Backbone interact. energy: -0.739 local terms energy: -64.788767 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -14.092 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -14.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -169.896044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.896044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.896044 (E_RNA) where: Base-Base interactions energy: -107.182 where: short stacking energy: -50.919 Base-Backbone interact. energy: -0.145 local terms energy: -62.569396 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -7.766 tors. eta vs tors. theta energy: -13.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -163.575624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.575624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.575624 (E_RNA) where: Base-Base interactions energy: -98.856 where: short stacking energy: -48.190 Base-Backbone interact. energy: -0.003 local terms energy: -64.716503 where: bonds (distance) C4'-P energy: -10.155 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -15.797 flat angles P-C4'-P energy: -9.522 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: 5, replica: 9 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -157.462196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.462196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.462196 (E_RNA) where: Base-Base interactions energy: -93.810 where: short stacking energy: -50.444 Base-Backbone interact. energy: 0.987 local terms energy: -64.639707 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -12.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -90.190532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.190532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.190532 (E_RNA) where: Base-Base interactions energy: -44.032 where: short stacking energy: -20.300 Base-Backbone interact. energy: -0.967 local terms energy: -45.191886 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -14.318 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -88.910537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.910537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.910537 (E_RNA) where: Base-Base interactions energy: -41.643 where: short stacking energy: -20.906 Base-Backbone interact. energy: -0.072 local terms energy: -47.195325 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -9.222 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -3.564 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: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -80.556120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.556120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.556120 (E_RNA) where: Base-Base interactions energy: -40.104 where: short stacking energy: -39.011 Base-Backbone interact. energy: -0.515 local terms energy: -39.937086 where: bonds (distance) C4'-P energy: -7.267 bonds (distance) P-C4' energy: -11.940 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -3.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -84.748242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.748242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.748242 (E_RNA) where: Base-Base interactions energy: -39.744 where: short stacking energy: -38.283 Base-Backbone interact. energy: -0.009 local terms energy: -44.995409 where: bonds (distance) C4'-P energy: -11.241 bonds (distance) P-C4' energy: -12.325 flat angles C4'-P-C4' energy: -4.523 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -11.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -73.096342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.096342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.096342 (E_RNA) where: Base-Base interactions energy: -20.633 where: short stacking energy: -20.633 Base-Backbone interact. energy: -0.091 local terms energy: -52.371945 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -15.269 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -183.707151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.707151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.707151 (E_RNA) where: Base-Base interactions energy: -115.727 where: short stacking energy: -54.952 Base-Backbone interact. energy: -0.002 local terms energy: -67.977992 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -14.610 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -18.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -172.748391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.748391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.748391 (E_RNA) where: Base-Base interactions energy: -115.004 where: short stacking energy: -57.088 Base-Backbone interact. energy: -0.399 local terms energy: -57.345425 where: bonds (distance) C4'-P energy: -10.913 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -14.920 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -16.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -158.133416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.133416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.133416 (E_RNA) where: Base-Base interactions energy: -100.848 where: short stacking energy: -47.152 Base-Backbone interact. energy: -0.720 local terms energy: -56.565581 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -11.525 flat angles P-C4'-P energy: -2.173 tors. eta vs tors. theta energy: -14.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -139.055984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.055984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.055984 (E_RNA) where: Base-Base interactions energy: -80.811 where: short stacking energy: -43.583 Base-Backbone interact. energy: -0.215 local terms energy: -58.030185 where: bonds (distance) C4'-P energy: -11.203 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -13.424 flat angles P-C4'-P energy: -8.199 tors. eta vs tors. theta energy: -10.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -152.980850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.980850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.980850 (E_RNA) where: Base-Base interactions energy: -99.683 where: short stacking energy: -45.616 Base-Backbone interact. energy: -0.390 local terms energy: -52.907769 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -11.635 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -10.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -98.251553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.251553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.251553 (E_RNA) where: Base-Base interactions energy: -42.008 where: short stacking energy: -42.008 Base-Backbone interact. energy: -0.095 local terms energy: -56.148658 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -12.800 flat angles P-C4'-P energy: -1.635 tors. eta vs tors. theta energy: -12.592 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: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -89.099115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.099115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.099115 (E_RNA) where: Base-Base interactions energy: -44.410 where: short stacking energy: -27.284 Base-Backbone interact. energy: -0.155 local terms energy: -44.534091 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -8.104 flat angles P-C4'-P energy: -6.524 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) ================================== temp. level: 8, replica: 2 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -82.952336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.952336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.952336 (E_RNA) where: Base-Base interactions energy: -27.045 where: short stacking energy: -27.045 Base-Backbone interact. energy: -0.066 local terms energy: -55.841283 where: bonds (distance) C4'-P energy: -11.187 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -11.395 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: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -78.400369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.400369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.400369 (E_RNA) where: Base-Base interactions energy: -30.687 where: short stacking energy: -28.975 Base-Backbone interact. energy: -0.094 local terms energy: -47.619138 where: bonds (distance) C4'-P energy: -11.245 bonds (distance) P-C4' energy: -14.817 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -0.803 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: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -72.142783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.142783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.142783 (E_RNA) where: Base-Base interactions energy: -33.159 where: short stacking energy: -27.435 Base-Backbone interact. energy: -0.058 local terms energy: -38.925582 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -12.139 flat angles C4'-P-C4' energy: -10.147 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: 2.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -183.698884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.698884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.698884 (E_RNA) where: Base-Base interactions energy: -111.763 where: short stacking energy: -48.994 Base-Backbone interact. energy: -0.892 local terms energy: -71.044163 where: bonds (distance) C4'-P energy: -14.818 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -15.981 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -17.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -174.445348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.445348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.445348 (E_RNA) where: Base-Base interactions energy: -106.258 where: short stacking energy: -56.840 Base-Backbone interact. energy: -0.005 local terms energy: -68.182030 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -14.533 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -10.324 tors. eta vs tors. theta energy: -14.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -174.009500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.009500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.009500 (E_RNA) where: Base-Base interactions energy: -111.627 where: short stacking energy: -56.001 Base-Backbone interact. energy: -0.150 local terms energy: -62.232648 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -12.885 flat angles P-C4'-P energy: -7.008 tors. eta vs tors. theta energy: -14.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -165.617466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.617466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.617466 (E_RNA) where: Base-Base interactions energy: -107.709 where: short stacking energy: -45.157 Base-Backbone interact. energy: -1.180 local terms energy: -56.729024 where: bonds (distance) C4'-P energy: -8.370 bonds (distance) P-C4' energy: -12.027 flat angles C4'-P-C4' energy: -14.466 flat angles P-C4'-P energy: -12.236 tors. eta vs tors. theta energy: -9.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -106.659732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.659732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.659732 (E_RNA) where: Base-Base interactions energy: -53.640 where: short stacking energy: -34.730 Base-Backbone interact. energy: -0.180 local terms energy: -52.839249 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -13.294 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -3.763 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: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -80.595804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.595804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.595804 (E_RNA) where: Base-Base interactions energy: -21.492 where: short stacking energy: -18.854 Base-Backbone interact. energy: -0.178 local terms energy: -58.925933 where: bonds (distance) C4'-P energy: -15.820 bonds (distance) P-C4' energy: -16.047 flat angles C4'-P-C4' energy: -15.489 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -4.940 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: 10 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -77.211852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.211852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.211852 (E_RNA) where: Base-Base interactions energy: -33.240 where: short stacking energy: -29.969 Base-Backbone interact. energy: -0.137 local terms energy: -43.835550 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -8.827 flat angles C4'-P-C4' energy: -10.926 flat angles P-C4'-P energy: -8.014 tors. eta vs tors. theta energy: -4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -75.000442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.000442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.000442 (E_RNA) where: Base-Base interactions energy: -28.041 where: short stacking energy: -28.041 Base-Backbone interact. energy: -0.218 local terms energy: -46.740676 where: bonds (distance) C4'-P energy: -9.890 bonds (distance) P-C4' energy: -14.436 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -9.293 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: 2 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -83.861899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.861899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.861899 (E_RNA) where: Base-Base interactions energy: -38.285 where: short stacking energy: -23.267 Base-Backbone interact. energy: -0.167 local terms energy: -45.409474 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -10.041 flat angles C4'-P-C4' energy: -9.921 flat angles P-C4'-P energy: -8.653 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: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -64.997384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.997384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.997384 (E_RNA) where: Base-Base interactions energy: -23.304 where: short stacking energy: -22.044 Base-Backbone interact. energy: -0.089 local terms energy: -41.604012 where: bonds (distance) C4'-P energy: -11.829 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -9.241 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -2.658 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: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -189.408127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.408127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.408127 (E_RNA) where: Base-Base interactions energy: -116.420 where: short stacking energy: -58.207 Base-Backbone interact. energy: -0.054 local terms energy: -72.934653 where: bonds (distance) C4'-P energy: -14.311 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -14.920 flat angles P-C4'-P energy: -8.852 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: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -177.915472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.915472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.915472 (E_RNA) where: Base-Base interactions energy: -105.282 where: short stacking energy: -58.915 Base-Backbone interact. energy: -0.287 local terms energy: -72.346602 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -12.100 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: 3, replica: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -167.056626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.056626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.056626 (E_RNA) where: Base-Base interactions energy: -106.878 where: short stacking energy: -51.849 Base-Backbone interact. energy: -0.191 local terms energy: -59.988132 where: bonds (distance) C4'-P energy: -13.438 bonds (distance) P-C4' energy: -16.633 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -7.102 tors. eta vs tors. theta energy: -10.762 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: 9 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -152.146904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.146904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.146904 (E_RNA) where: Base-Base interactions energy: -96.330 where: short stacking energy: -51.939 Base-Backbone interact. energy: -0.004 local terms energy: -55.813159 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -9.239 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -13.828 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: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -116.173010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.173010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.173010 (E_RNA) where: Base-Base interactions energy: -69.374 where: short stacking energy: -32.380 Base-Backbone interact. energy: -0.392 local terms energy: -46.406761 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -15.376 flat angles P-C4'-P energy: -0.053 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -90.029049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.029049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.029049 (E_RNA) where: Base-Base interactions energy: -28.804 where: short stacking energy: -27.093 Base-Backbone interact. energy: -0.111 local terms energy: -61.113570 where: bonds (distance) C4'-P energy: -11.095 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -13.793 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: -8.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -93.588240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.588240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.588240 (E_RNA) where: Base-Base interactions energy: -40.478 where: short stacking energy: -24.905 Base-Backbone interact. energy: -0.184 local terms energy: -52.926525 where: bonds (distance) C4'-P energy: -15.186 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -14.477 flat angles P-C4'-P energy: -8.067 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -81.476171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.476171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.476171 (E_RNA) where: Base-Base interactions energy: -33.170 where: short stacking energy: -32.780 Base-Backbone interact. energy: -0.116 local terms energy: -48.190627 where: bonds (distance) C4'-P energy: -13.248 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -4.323 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: 9, replica: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -65.902164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.902164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.902164 (E_RNA) where: Base-Base interactions energy: -26.623 where: short stacking energy: -20.787 Base-Backbone interact. energy: -0.301 local terms energy: -38.977846 where: bonds (distance) C4'-P energy: -6.347 bonds (distance) P-C4' energy: -13.562 flat angles C4'-P-C4' energy: -10.458 flat angles P-C4'-P energy: -6.283 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: 2 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -68.991589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.991589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.991589 (E_RNA) where: Base-Base interactions energy: -26.017 where: short stacking energy: -25.229 Base-Backbone interact. energy: -0.086 local terms energy: -42.889128 where: bonds (distance) C4'-P energy: -8.977 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -11.243 flat angles P-C4'-P energy: -6.181 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: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -187.143929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.143929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.143929 (E_RNA) where: Base-Base interactions energy: -124.082 where: short stacking energy: -54.459 Base-Backbone interact. energy: -0.004 local terms energy: -63.057517 where: bonds (distance) C4'-P energy: -14.514 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -13.410 flat angles P-C4'-P energy: -5.933 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: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -182.737988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.737988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.737988 (E_RNA) where: Base-Base interactions energy: -109.853 where: short stacking energy: -68.317 Base-Backbone interact. energy: -0.238 local terms energy: -72.646962 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -12.067 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -11.577 tors. eta vs tors. theta energy: -19.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -160.208177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.208177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.208177 (E_RNA) where: Base-Base interactions energy: -110.977 where: short stacking energy: -53.288 Base-Backbone interact. energy: -0.414 local terms energy: -48.816606 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -11.722 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -2.411 tors. eta vs tors. theta energy: -9.669 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: 9 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -164.581540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.581540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.581540 (E_RNA) where: Base-Base interactions energy: -94.886 where: short stacking energy: -44.277 Base-Backbone interact. energy: -0.050 local terms energy: -69.645283 where: bonds (distance) C4'-P energy: -12.028 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -15.647 flat angles P-C4'-P energy: -10.822 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: 5, replica: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -122.641029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.641029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.641029 (E_RNA) where: Base-Base interactions energy: -62.691 where: short stacking energy: -31.235 Base-Backbone interact. energy: -0.296 local terms energy: -59.654176 where: bonds (distance) C4'-P energy: -12.706 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -11.341 tors. eta vs tors. theta energy: -8.246 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: 6, replica: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -86.261125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.261125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.261125 (E_RNA) where: Base-Base interactions energy: -30.531 where: short stacking energy: -22.913 Base-Backbone interact. energy: -0.502 local terms energy: -55.227722 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -13.315 flat angles P-C4'-P energy: -10.928 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -81.471103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.471103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.471103 (E_RNA) where: Base-Base interactions energy: -27.222 where: short stacking energy: -26.881 Base-Backbone interact. energy: -0.130 local terms energy: -54.119116 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -15.825 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -10.346 tors. eta vs tors. theta energy: -0.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -77.180893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.180893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.180893 (E_RNA) where: Base-Base interactions energy: -35.034 where: short stacking energy: -30.681 Base-Backbone interact. energy: -0.100 local terms energy: -42.047380 where: bonds (distance) C4'-P energy: -9.344 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -8.259 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -6.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -66.921438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.921438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.921438 (E_RNA) where: Base-Base interactions energy: -24.631 where: short stacking energy: -23.551 Base-Backbone interact. energy: -0.265 local terms energy: -42.025281 where: bonds (distance) C4'-P energy: -10.649 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -9.023 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: 4.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -75.769317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.769317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.769317 (E_RNA) where: Base-Base interactions energy: -25.234 where: short stacking energy: -25.234 Base-Backbone interact. energy: -0.038 local terms energy: -50.497378 where: bonds (distance) C4'-P energy: -12.942 bonds (distance) P-C4' energy: -12.953 flat angles C4'-P-C4' energy: -10.459 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -4.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -189.190211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.190211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.190211 (E_RNA) where: Base-Base interactions energy: -113.207 where: short stacking energy: -66.842 Base-Backbone interact. energy: -0.487 local terms energy: -75.497048 where: bonds (distance) C4'-P energy: -15.691 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -19.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -177.969330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.969330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.969330 (E_RNA) where: Base-Base interactions energy: -111.661 where: short stacking energy: -56.466 Base-Backbone interact. energy: -0.608 local terms energy: -65.700319 where: bonds (distance) C4'-P energy: -10.215 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -10.480 tors. eta vs tors. theta energy: -16.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -155.267805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.267805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.267805 (E_RNA) where: Base-Base interactions energy: -105.619 where: short stacking energy: -39.165 Base-Backbone interact. energy: -0.548 local terms energy: -49.100511 where: bonds (distance) C4'-P energy: -12.871 bonds (distance) P-C4' energy: -8.222 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -11.540 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -164.216274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.216274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.216274 (E_RNA) where: Base-Base interactions energy: -109.374 where: short stacking energy: -52.553 Base-Backbone interact. energy: -0.242 local terms energy: -54.600091 where: bonds (distance) C4'-P energy: -12.754 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -4.218 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: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -89.851514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.851514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.851514 (E_RNA) where: Base-Base interactions energy: -32.457 where: short stacking energy: -31.623 Base-Backbone interact. energy: -0.849 local terms energy: -56.546093 where: bonds (distance) C4'-P energy: -14.391 bonds (distance) P-C4' energy: -13.176 flat angles C4'-P-C4' energy: -14.820 flat angles P-C4'-P energy: -8.073 tors. eta vs tors. theta energy: -6.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -83.898753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.898753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.898753 (E_RNA) where: Base-Base interactions energy: -38.791 where: short stacking energy: -28.222 Base-Backbone interact. energy: 0.236 local terms energy: -45.343836 where: bonds (distance) C4'-P energy: -9.093 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -10.173 flat angles P-C4'-P energy: -7.884 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: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -83.957293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.957293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.957293 (E_RNA) where: Base-Base interactions energy: -37.847 where: short stacking energy: -35.972 Base-Backbone interact. energy: -0.082 local terms energy: -46.028919 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -11.159 flat angles P-C4'-P energy: -6.129 tors. eta vs tors. theta energy: -6.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -78.394137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.394137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.394137 (E_RNA) where: Base-Base interactions energy: -29.764 where: short stacking energy: -24.369 Base-Backbone interact. energy: 3.262 local terms energy: -51.892175 where: bonds (distance) C4'-P energy: -11.647 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -8.257 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -7.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -77.114623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.114623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.114623 (E_RNA) where: Base-Base interactions energy: -26.954 where: short stacking energy: -17.087 Base-Backbone interact. energy: -0.096 local terms energy: -50.064675 where: bonds (distance) C4'-P energy: -9.137 bonds (distance) P-C4' energy: -11.087 flat angles C4'-P-C4' energy: -14.195 flat angles P-C4'-P energy: -12.121 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -69.488850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.488850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.488850 (E_RNA) where: Base-Base interactions energy: -23.929 where: short stacking energy: -20.962 Base-Backbone interact. energy: -0.656 local terms energy: -44.903113 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -15.635 flat angles C4'-P-C4' energy: -12.148 flat angles P-C4'-P energy: -2.379 tors. eta vs tors. theta energy: 0.059 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: 181 Temperature: 0.900000 Total energy: -181.701569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.701569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.701569 (E_RNA) where: Base-Base interactions energy: -110.040 where: short stacking energy: -61.968 Base-Backbone interact. energy: -0.935 local terms energy: -70.726293 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -11.204 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: 2, replica: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -166.435180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.435180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.435180 (E_RNA) where: Base-Base interactions energy: -108.685 where: short stacking energy: -43.907 Base-Backbone interact. energy: -0.363 local terms energy: -57.387067 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -13.550 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -11.157 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: 3 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -166.963588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.963588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.963588 (E_RNA) where: Base-Base interactions energy: -104.535 where: short stacking energy: -50.794 Base-Backbone interact. energy: -0.442 local terms energy: -61.986348 where: bonds (distance) C4'-P energy: -15.332 bonds (distance) P-C4' energy: -10.917 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -8.913 tors. eta vs tors. theta energy: -12.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -170.969117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.969117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.969117 (E_RNA) where: Base-Base interactions energy: -101.883 where: short stacking energy: -53.875 Base-Backbone interact. energy: -2.888 local terms energy: -66.198750 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -12.402 flat angles C4'-P-C4' energy: -15.869 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -18.142 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: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -120.359948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.359948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.359948 (E_RNA) where: Base-Base interactions energy: -68.529 where: short stacking energy: -24.799 Base-Backbone interact. energy: -0.304 local terms energy: -51.527389 where: bonds (distance) C4'-P energy: -14.060 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -5.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -87.621589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.621589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.621589 (E_RNA) where: Base-Base interactions energy: -33.572 where: short stacking energy: -23.570 Base-Backbone interact. energy: -0.710 local terms energy: -53.339502 where: bonds (distance) C4'-P energy: -13.525 bonds (distance) P-C4' energy: -13.282 flat angles C4'-P-C4' energy: -12.065 flat angles P-C4'-P energy: -12.301 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -82.109560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.109560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.109560 (E_RNA) where: Base-Base interactions energy: -27.357 where: short stacking energy: -24.401 Base-Backbone interact. energy: -0.036 local terms energy: -54.716189 where: bonds (distance) C4'-P energy: -9.907 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -12.895 tors. eta vs tors. theta energy: -5.752 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: 181 Temperature: 1.250000 Total energy: -78.596515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.596515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.596515 (E_RNA) where: Base-Base interactions energy: -23.931 where: short stacking energy: -23.931 Base-Backbone interact. energy: -0.023 local terms energy: -54.642563 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -6.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -70.762419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.762419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.762419 (E_RNA) where: Base-Base interactions energy: -23.453 where: short stacking energy: -23.453 Base-Backbone interact. energy: -0.104 local terms energy: -47.205145 where: bonds (distance) C4'-P energy: -12.345 bonds (distance) P-C4' energy: -9.548 flat angles C4'-P-C4' energy: -11.312 flat angles P-C4'-P energy: -8.924 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: 10, replica: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -79.057812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.057812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.057812 (E_RNA) where: Base-Base interactions energy: -31.308 where: short stacking energy: -31.308 Base-Backbone interact. energy: -0.078 local terms energy: -47.671395 where: bonds (distance) C4'-P energy: -8.794 bonds (distance) P-C4' energy: -12.341 flat angles C4'-P-C4' energy: -14.545 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -5.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -177.216024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.216024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.216024 (E_RNA) where: Base-Base interactions energy: -109.485 where: short stacking energy: -66.208 Base-Backbone interact. energy: -0.259 local terms energy: -67.472030 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -12.808 flat angles C4'-P-C4' energy: -13.857 flat angles P-C4'-P energy: -12.001 tors. eta vs tors. theta energy: -15.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -172.331641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.331641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.331641 (E_RNA) where: Base-Base interactions energy: -109.305 where: short stacking energy: -55.591 Base-Backbone interact. energy: -0.032 local terms energy: -62.994320 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -9.981 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: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -159.883956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.883956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.883956 (E_RNA) where: Base-Base interactions energy: -100.550 where: short stacking energy: -44.425 Base-Backbone interact. energy: -0.166 local terms energy: -59.168004 where: bonds (distance) C4'-P energy: -11.766 bonds (distance) P-C4' energy: -12.555 flat angles C4'-P-C4' energy: -15.241 flat angles P-C4'-P energy: -9.547 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: 4, replica: 7 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -168.124573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.124573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.124573 (E_RNA) where: Base-Base interactions energy: -102.116 where: short stacking energy: -55.026 Base-Backbone interact. energy: -0.000 local terms energy: -66.008046 where: bonds (distance) C4'-P energy: -14.343 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -14.634 flat angles P-C4'-P energy: -8.198 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: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -105.155353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.155353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.155353 (E_RNA) where: Base-Base interactions energy: -55.557 where: short stacking energy: -34.544 Base-Backbone interact. energy: -0.115 local terms energy: -49.482955 where: bonds (distance) C4'-P energy: -7.751 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -11.615 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -9.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -113.496247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.496247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.496247 (E_RNA) where: Base-Base interactions energy: -67.507 where: short stacking energy: -21.300 Base-Backbone interact. energy: -0.219 local terms energy: -45.770153 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -9.182 flat angles C4'-P-C4' energy: -12.618 flat angles P-C4'-P energy: -9.112 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: 7, replica: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -85.405661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.405661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.405661 (E_RNA) where: Base-Base interactions energy: -37.068 where: short stacking energy: -27.394 Base-Backbone interact. energy: -0.187 local terms energy: -48.150678 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -14.020 flat angles P-C4'-P energy: -3.250 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: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -85.078534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.078534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.078534 (E_RNA) where: Base-Base interactions energy: -49.946 where: short stacking energy: -22.616 Base-Backbone interact. energy: -0.311 local terms energy: -34.821713 where: bonds (distance) C4'-P energy: -5.914 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -1.581 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: 9, replica: 10 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -78.670063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.670063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.670063 (E_RNA) where: Base-Base interactions energy: -28.322 where: short stacking energy: -28.322 Base-Backbone interact. energy: -0.004 local terms energy: -50.344550 where: bonds (distance) C4'-P energy: -11.799 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -6.923 tors. eta vs tors. theta energy: -6.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -62.388046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.388046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.388046 (E_RNA) where: Base-Base interactions energy: -17.974 where: short stacking energy: -17.816 Base-Backbone interact. energy: -0.138 local terms energy: -44.275558 where: bonds (distance) C4'-P energy: -11.430 bonds (distance) P-C4' energy: -11.767 flat angles C4'-P-C4' energy: -14.811 flat angles P-C4'-P energy: -7.814 tors. eta vs tors. theta energy: 1.547 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: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -177.954219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.954219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.954219 (E_RNA) where: Base-Base interactions energy: -112.794 where: short stacking energy: -52.052 Base-Backbone interact. energy: -0.438 local terms energy: -64.722269 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -15.928 flat angles P-C4'-P energy: -6.026 tors. eta vs tors. theta energy: -15.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -171.826293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.826293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.826293 (E_RNA) where: Base-Base interactions energy: -112.093 where: short stacking energy: -50.805 Base-Backbone interact. energy: -0.105 local terms energy: -59.628093 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -10.811 tors. eta vs tors. theta energy: -9.706 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: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -163.203252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.203252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.203252 (E_RNA) where: Base-Base interactions energy: -94.392 where: short stacking energy: -45.817 Base-Backbone interact. energy: -0.223 local terms energy: -68.588065 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -17.337 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -13.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -166.619030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.619030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.619030 (E_RNA) where: Base-Base interactions energy: -107.322 where: short stacking energy: -48.277 Base-Backbone interact. energy: -0.027 local terms energy: -59.269784 where: bonds (distance) C4'-P energy: -11.116 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -13.714 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -14.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -105.099799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.099799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.099799 (E_RNA) where: Base-Base interactions energy: -56.723 where: short stacking energy: -15.344 Base-Backbone interact. energy: -0.150 local terms energy: -48.227267 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -9.143 flat angles C4'-P-C4' energy: -15.798 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -0.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -89.672076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.672076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.672076 (E_RNA) where: Base-Base interactions energy: -39.438 where: short stacking energy: -34.701 Base-Backbone interact. energy: -0.074 local terms energy: -50.159448 where: bonds (distance) C4'-P energy: -13.989 bonds (distance) P-C4' energy: -12.033 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -6.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -88.357982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.357982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.357982 (E_RNA) where: Base-Base interactions energy: -40.274 where: short stacking energy: -18.639 Base-Backbone interact. energy: -0.170 local terms energy: -47.913752 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -14.999 flat angles C4'-P-C4' energy: -11.528 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: 1.172 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: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -98.056272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.056272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.056272 (E_RNA) where: Base-Base interactions energy: -42.787 where: short stacking energy: -29.768 Base-Backbone interact. energy: -0.185 local terms energy: -55.083376 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -16.664 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -7.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -79.440252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.440252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.440252 (E_RNA) where: Base-Base interactions energy: -32.432 where: short stacking energy: -26.904 Base-Backbone interact. energy: -0.028 local terms energy: -46.980676 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -9.315 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -7.813 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: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -69.160945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.160945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.160945 (E_RNA) where: Base-Base interactions energy: -27.272 where: short stacking energy: -19.071 Base-Backbone interact. energy: -0.295 local terms energy: -41.594464 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -7.033 flat angles C4'-P-C4' energy: -10.667 flat angles P-C4'-P energy: -10.460 tors. eta vs tors. theta energy: 0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -172.014381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.014381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.014381 (E_RNA) where: Base-Base interactions energy: -114.153 where: short stacking energy: -45.986 Base-Backbone interact. energy: -0.582 local terms energy: -57.279527 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -8.852 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -10.462 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: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -169.767543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.767543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.767543 (E_RNA) where: Base-Base interactions energy: -107.283 where: short stacking energy: -49.961 Base-Backbone interact. energy: -0.013 local terms energy: -62.471940 where: bonds (distance) C4'-P energy: -14.073 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -12.800 flat angles P-C4'-P energy: -8.985 tors. eta vs tors. theta energy: -12.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -171.831513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.831513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.831513 (E_RNA) where: Base-Base interactions energy: -102.598 where: short stacking energy: -55.340 Base-Backbone interact. energy: -0.836 local terms energy: -68.397353 where: bonds (distance) C4'-P energy: -14.979 bonds (distance) P-C4' energy: -14.825 flat angles C4'-P-C4' energy: -9.766 flat angles P-C4'-P energy: -11.870 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: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -168.634221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.634221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.634221 (E_RNA) where: Base-Base interactions energy: -106.436 where: short stacking energy: -49.703 Base-Backbone interact. energy: -0.002 local terms energy: -62.196524 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -14.700 flat angles P-C4'-P energy: -7.614 tors. eta vs tors. theta energy: -11.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -87.343037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.343037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.343037 (E_RNA) where: Base-Base interactions energy: -42.977 where: short stacking energy: -35.793 Base-Backbone interact. energy: -1.444 local terms energy: -42.922825 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -10.710 flat angles P-C4'-P energy: -9.103 tors. eta vs tors. theta energy: -3.393 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: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -84.370981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.370981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.370981 (E_RNA) where: Base-Base interactions energy: -25.627 where: short stacking energy: -27.127 Base-Backbone interact. energy: -0.500 local terms energy: -58.243543 where: bonds (distance) C4'-P energy: -13.724 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -6.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -86.086231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.086231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.086231 (E_RNA) where: Base-Base interactions energy: -34.935 where: short stacking energy: -19.138 Base-Backbone interact. energy: -0.724 local terms energy: -50.427205 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -12.797 flat angles P-C4'-P energy: -8.157 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: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -76.507960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.507960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.507960 (E_RNA) where: Base-Base interactions energy: -33.312 where: short stacking energy: -19.209 Base-Backbone interact. energy: 0.100 local terms energy: -43.295874 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -14.313 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -10.603 tors. eta vs tors. theta energy: 0.900 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: 10 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -68.902930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.902930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.902930 (E_RNA) where: Base-Base interactions energy: -29.298 where: short stacking energy: -17.796 Base-Backbone interact. energy: -0.126 local terms energy: -39.479397 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -8.048 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: 0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -89.002871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.002871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.002871 (E_RNA) where: Base-Base interactions energy: -39.961 where: short stacking energy: -26.926 Base-Backbone interact. energy: -0.261 local terms energy: -48.781155 where: bonds (distance) C4'-P energy: -10.087 bonds (distance) P-C4' energy: -14.021 flat angles C4'-P-C4' energy: -12.038 flat angles P-C4'-P energy: -7.778 tors. eta vs tors. theta energy: -4.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -192.104686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.104686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.104686 (E_RNA) where: Base-Base interactions energy: -129.088 where: short stacking energy: -49.316 Base-Backbone interact. energy: -0.802 local terms energy: -62.214824 where: bonds (distance) C4'-P energy: -10.062 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -11.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -169.548809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.548809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.548809 (E_RNA) where: Base-Base interactions energy: -102.907 where: short stacking energy: -57.423 Base-Backbone interact. energy: -0.280 local terms energy: -66.361869 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -16.060 flat angles P-C4'-P energy: -10.614 tors. eta vs tors. theta energy: -14.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -164.265326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.265326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.265326 (E_RNA) where: Base-Base interactions energy: -103.539 where: short stacking energy: -43.520 Base-Backbone interact. energy: -0.438 local terms energy: -60.287917 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -11.551 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -10.404 tors. eta vs tors. theta energy: -10.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -167.922412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.922412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.922412 (E_RNA) where: Base-Base interactions energy: -107.240 where: short stacking energy: -53.137 Base-Backbone interact. energy: -0.728 local terms energy: -59.954226 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -14.415 flat angles C4'-P-C4' energy: -14.550 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -16.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -98.129919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.129919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.129919 (E_RNA) where: Base-Base interactions energy: -40.714 where: short stacking energy: -40.548 Base-Backbone interact. energy: -0.181 local terms energy: -57.234674 where: bonds (distance) C4'-P energy: -11.406 bonds (distance) P-C4' energy: -15.370 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -6.877 tors. eta vs tors. theta energy: -8.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -78.462357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.462357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.462357 (E_RNA) where: Base-Base interactions energy: -28.114 where: short stacking energy: -26.522 Base-Backbone interact. energy: -0.030 local terms energy: -50.318343 where: bonds (distance) C4'-P energy: -11.667 bonds (distance) P-C4' energy: -10.567 flat angles C4'-P-C4' energy: -16.216 flat angles P-C4'-P energy: -7.677 tors. eta vs tors. theta energy: -4.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -111.952412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.952412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.952412 (E_RNA) where: Base-Base interactions energy: -68.626 where: short stacking energy: -32.803 Base-Backbone interact. energy: -0.571 local terms energy: -42.755309 where: bonds (distance) C4'-P energy: -11.651 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -12.796 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -83.061154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.061154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.061154 (E_RNA) where: Base-Base interactions energy: -31.790 where: short stacking energy: -26.502 Base-Backbone interact. energy: 0.337 local terms energy: -51.608477 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -11.697 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -3.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -75.951259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.951259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.951259 (E_RNA) where: Base-Base interactions energy: -26.925 where: short stacking energy: -26.793 Base-Backbone interact. energy: -0.057 local terms energy: -48.969800 where: bonds (distance) C4'-P energy: -11.737 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -6.962 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -74.415075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.415075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.415075 (E_RNA) where: Base-Base interactions energy: -35.153 where: short stacking energy: -30.147 Base-Backbone interact. energy: -0.231 local terms energy: -39.031081 where: bonds (distance) C4'-P energy: -11.978 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -176.489486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.489486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.489486 (E_RNA) where: Base-Base interactions energy: -112.114 where: short stacking energy: -56.341 Base-Backbone interact. energy: -0.003 local terms energy: -64.373107 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -11.105 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -10.493 tors. eta vs tors. theta energy: -16.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -177.913612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.913612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.913612 (E_RNA) where: Base-Base interactions energy: -116.397 where: short stacking energy: -47.664 Base-Backbone interact. energy: -0.886 local terms energy: -60.630750 where: bonds (distance) C4'-P energy: -10.662 bonds (distance) P-C4' energy: -15.243 flat angles C4'-P-C4' energy: -11.676 flat angles P-C4'-P energy: -11.206 tors. eta vs tors. theta energy: -11.843 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: 3 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -171.753001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.753001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.753001 (E_RNA) where: Base-Base interactions energy: -104.463 where: short stacking energy: -48.468 Base-Backbone interact. energy: -0.121 local terms energy: -67.168865 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -15.586 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -12.273 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: 4, replica: 1 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -161.723436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.723436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.723436 (E_RNA) where: Base-Base interactions energy: -106.035 where: short stacking energy: -44.349 Base-Backbone interact. energy: -0.035 local terms energy: -55.653801 where: bonds (distance) C4'-P energy: -11.311 bonds (distance) P-C4' energy: -14.276 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -10.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -90.706599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.706599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.706599 (E_RNA) where: Base-Base interactions energy: -36.947 where: short stacking energy: -36.947 Base-Backbone interact. energy: -0.137 local terms energy: -53.622583 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -13.352 flat angles P-C4'-P energy: -8.024 tors. eta vs tors. theta energy: -4.580 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: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -95.573029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.573029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.573029 (E_RNA) where: Base-Base interactions energy: -48.908 where: short stacking energy: -16.532 Base-Backbone interact. energy: -0.738 local terms energy: -45.926471 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -11.068 flat angles P-C4'-P energy: -8.217 tors. eta vs tors. theta energy: 2.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -141.622485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.622485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.622485 (E_RNA) where: Base-Base interactions energy: -89.182 where: short stacking energy: -36.425 Base-Backbone interact. energy: -0.439 local terms energy: -52.002248 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -11.269 flat angles P-C4'-P energy: -8.413 tors. eta vs tors. theta energy: -7.152 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: 8, replica: 10 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -83.975015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.975015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.975015 (E_RNA) where: Base-Base interactions energy: -30.540 where: short stacking energy: -26.636 Base-Backbone interact. energy: -0.381 local terms energy: -53.053642 where: bonds (distance) C4'-P energy: -14.204 bonds (distance) P-C4' energy: -12.882 flat angles C4'-P-C4' energy: -13.248 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -5.265 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: 186 Temperature: 1.300000 Total energy: -103.699416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.699416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.699416 (E_RNA) where: Base-Base interactions energy: -50.476 where: short stacking energy: -30.417 Base-Backbone interact. energy: -0.097 local terms energy: -53.125908 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -13.237 flat angles P-C4'-P energy: -10.403 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -84.207329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.207329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.207329 (E_RNA) where: Base-Base interactions energy: -44.399 where: short stacking energy: -21.260 Base-Backbone interact. energy: -0.069 local terms energy: -39.738548 where: bonds (distance) C4'-P energy: -3.330 bonds (distance) P-C4' energy: -12.526 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -9.902 tors. eta vs tors. theta energy: -7.895 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: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -184.193644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.193644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.193644 (E_RNA) where: Base-Base interactions energy: -114.778 where: short stacking energy: -53.058 Base-Backbone interact. energy: -0.417 local terms energy: -68.999213 where: bonds (distance) C4'-P energy: -16.291 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -15.779 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -15.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -176.526501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.526501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.526501 (E_RNA) where: Base-Base interactions energy: -120.218 where: short stacking energy: -61.133 Base-Backbone interact. energy: -0.279 local terms energy: -56.028644 where: bonds (distance) C4'-P energy: -10.685 bonds (distance) P-C4' energy: -9.883 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -2.629 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: 3, replica: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -163.617764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.617764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.617764 (E_RNA) where: Base-Base interactions energy: -100.210 where: short stacking energy: -51.262 Base-Backbone interact. energy: -0.157 local terms energy: -63.251627 where: bonds (distance) C4'-P energy: -14.474 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -12.419 flat angles P-C4'-P energy: -9.296 tors. eta vs tors. theta energy: -14.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -165.201635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.201635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.201635 (E_RNA) where: Base-Base interactions energy: -106.377 where: short stacking energy: -38.595 Base-Backbone interact. energy: -1.133 local terms energy: -57.692114 where: bonds (distance) C4'-P energy: -9.622 bonds (distance) P-C4' energy: -14.493 flat angles C4'-P-C4' energy: -16.300 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -10.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -98.189288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.189288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.189288 (E_RNA) where: Base-Base interactions energy: -43.230 where: short stacking energy: -43.230 Base-Backbone interact. energy: 0.320 local terms energy: -55.279177 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -7.665 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: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -132.232715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.232715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.232715 (E_RNA) where: Base-Base interactions energy: -74.967 where: short stacking energy: -41.049 Base-Backbone interact. energy: -0.034 local terms energy: -57.231692 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -8.959 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -5.994 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: 7, replica: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -87.404550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.404550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.404550 (E_RNA) where: Base-Base interactions energy: -34.361 where: short stacking energy: -27.304 Base-Backbone interact. energy: -0.271 local terms energy: -52.772646 where: bonds (distance) C4'-P energy: -13.370 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -8.962 tors. eta vs tors. theta energy: -4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -72.710794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.710794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.710794 (E_RNA) where: Base-Base interactions energy: -33.247 where: short stacking energy: -16.840 Base-Backbone interact. energy: 0.921 local terms energy: -40.384235 where: bonds (distance) C4'-P energy: -12.961 bonds (distance) P-C4' energy: -14.815 flat angles C4'-P-C4' energy: -8.237 flat angles P-C4'-P energy: -5.473 tors. eta vs tors. theta energy: 1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -69.046844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.046844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.046844 (E_RNA) where: Base-Base interactions energy: -27.024 where: short stacking energy: -25.712 Base-Backbone interact. energy: -0.359 local terms energy: -41.663968 where: bonds (distance) C4'-P energy: -15.335 bonds (distance) P-C4' energy: -9.448 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -7.400 tors. eta vs tors. theta energy: -3.284 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: 10, replica: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -70.452244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.452244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.452244 (E_RNA) where: Base-Base interactions energy: -21.374 where: short stacking energy: -14.356 Base-Backbone interact. energy: 0.044 local terms energy: -49.123073 where: bonds (distance) C4'-P energy: -12.838 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -11.020 flat angles P-C4'-P energy: -8.559 tors. eta vs tors. theta energy: -0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -178.428658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.428658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.428658 (E_RNA) where: Base-Base interactions energy: -117.442 where: short stacking energy: -50.571 Base-Backbone interact. energy: -0.505 local terms energy: -60.482299 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -11.759 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: -15.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -176.611629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.611629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.611629 (E_RNA) where: Base-Base interactions energy: -111.424 where: short stacking energy: -60.599 Base-Backbone interact. energy: -0.151 local terms energy: -65.037385 where: bonds (distance) C4'-P energy: -13.324 bonds (distance) P-C4' energy: -13.277 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: -10.787 tors. eta vs tors. theta energy: -15.340 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: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -177.096145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.096145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.096145 (E_RNA) where: Base-Base interactions energy: -109.412 where: short stacking energy: -45.709 Base-Backbone interact. energy: -1.116 local terms energy: -66.568071 where: bonds (distance) C4'-P energy: -14.904 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -12.165 tors. eta vs tors. theta energy: -8.199 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: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -188.484205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.484205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.484205 (E_RNA) where: Base-Base interactions energy: -121.273 where: short stacking energy: -63.529 Base-Backbone interact. energy: -0.417 local terms energy: -66.793510 where: bonds (distance) C4'-P energy: -14.677 bonds (distance) P-C4' energy: -13.509 flat angles C4'-P-C4' energy: -11.045 flat angles P-C4'-P energy: -6.857 tors. eta vs tors. theta energy: -20.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -152.837692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.837692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.837692 (E_RNA) where: Base-Base interactions energy: -99.586 where: short stacking energy: -38.052 Base-Backbone interact. energy: -0.082 local terms energy: -53.169718 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -17.140 flat angles C4'-P-C4' energy: -10.616 flat angles P-C4'-P energy: 0.475 tors. eta vs tors. theta energy: -11.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -89.682829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.682829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.682829 (E_RNA) where: Base-Base interactions energy: -30.896 where: short stacking energy: -30.896 Base-Backbone interact. energy: -0.150 local terms energy: -58.636563 where: bonds (distance) C4'-P energy: -12.379 bonds (distance) P-C4' energy: -14.545 flat angles C4'-P-C4' energy: -11.186 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -11.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -76.991763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.991763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.991763 (E_RNA) where: Base-Base interactions energy: -30.644 where: short stacking energy: -18.947 Base-Backbone interact. energy: 0.233 local terms energy: -46.581184 where: bonds (distance) C4'-P energy: -12.275 bonds (distance) P-C4' energy: -11.537 flat angles C4'-P-C4' energy: -8.572 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -4.396 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: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -80.138839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.138839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.138839 (E_RNA) where: Base-Base interactions energy: -26.313 where: short stacking energy: -26.313 Base-Backbone interact. energy: -0.082 local terms energy: -53.744475 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -11.090 flat angles P-C4'-P energy: -6.808 tors. eta vs tors. theta energy: -7.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -70.593712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.593712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.593712 (E_RNA) where: Base-Base interactions energy: -26.259 where: short stacking energy: -19.488 Base-Backbone interact. energy: 1.468 local terms energy: -45.803363 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: 1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -70.990037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.990037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.990037 (E_RNA) where: Base-Base interactions energy: -31.066 where: short stacking energy: -31.066 Base-Backbone interact. energy: -0.129 local terms energy: -39.794956 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -8.195 tors. eta vs tors. theta energy: -1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -186.697924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.697924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.697924 (E_RNA) where: Base-Base interactions energy: -112.673 where: short stacking energy: -53.550 Base-Backbone interact. energy: -0.086 local terms energy: -73.938740 where: bonds (distance) C4'-P energy: -14.979 bonds (distance) P-C4' energy: -15.101 flat angles C4'-P-C4' energy: -16.555 flat angles P-C4'-P energy: -8.225 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: 2, replica: 1 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -166.949411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.949411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.949411 (E_RNA) where: Base-Base interactions energy: -106.055 where: short stacking energy: -49.982 Base-Backbone interact. energy: 1.966 local terms energy: -62.860185 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -10.175 flat angles C4'-P-C4' energy: -15.328 flat angles P-C4'-P energy: -9.316 tors. eta vs tors. theta energy: -14.986 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: 3, replica: 7 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -178.457209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.457209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.457209 (E_RNA) where: Base-Base interactions energy: -115.226 where: short stacking energy: -55.394 Base-Backbone interact. energy: -0.412 local terms energy: -62.819265 where: bonds (distance) C4'-P energy: -14.415 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -16.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -172.283049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.283049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.283049 (E_RNA) where: Base-Base interactions energy: -105.032 where: short stacking energy: -53.671 Base-Backbone interact. energy: -0.394 local terms energy: -66.857008 where: bonds (distance) C4'-P energy: -15.741 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -6.388 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: 5, replica: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -147.276777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.276777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.276777 (E_RNA) where: Base-Base interactions energy: -93.569 where: short stacking energy: -42.300 Base-Backbone interact. energy: -1.900 local terms energy: -51.808487 where: bonds (distance) C4'-P energy: -11.096 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -6.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -90.016169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.016169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.016169 (E_RNA) where: Base-Base interactions energy: -35.091 where: short stacking energy: -35.091 Base-Backbone interact. energy: -0.129 local terms energy: -54.796407 where: bonds (distance) C4'-P energy: -12.218 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -12.067 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -5.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -84.982833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.982833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.982833 (E_RNA) where: Base-Base interactions energy: -35.697 where: short stacking energy: -35.697 Base-Backbone interact. energy: -0.133 local terms energy: -49.153546 where: bonds (distance) C4'-P energy: -10.773 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -10.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -95.906967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.906967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.906967 (E_RNA) where: Base-Base interactions energy: -53.573 where: short stacking energy: -22.830 Base-Backbone interact. energy: 0.354 local terms energy: -42.688393 where: bonds (distance) C4'-P energy: -14.283 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -11.546 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -73.861061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.861061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.861061 (E_RNA) where: Base-Base interactions energy: -29.490 where: short stacking energy: -20.400 Base-Backbone interact. energy: -0.853 local terms energy: -43.517800 where: bonds (distance) C4'-P energy: -11.617 bonds (distance) P-C4' energy: -13.988 flat angles C4'-P-C4' energy: -14.353 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: 0.143 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: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -66.988857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.988857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.988857 (E_RNA) where: Base-Base interactions energy: -24.087 where: short stacking energy: -21.104 Base-Backbone interact. energy: -0.432 local terms energy: -42.468905 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -13.763 flat angles C4'-P-C4' energy: -8.365 flat angles P-C4'-P energy: -7.393 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: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -184.570659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.570659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.570659 (E_RNA) where: Base-Base interactions energy: -121.246 where: short stacking energy: -57.129 Base-Backbone interact. energy: -0.088 local terms energy: -63.237160 where: bonds (distance) C4'-P energy: -10.503 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -17.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -167.495582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.495582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.495582 (E_RNA) where: Base-Base interactions energy: -99.686 where: short stacking energy: -57.294 Base-Backbone interact. energy: -1.056 local terms energy: -66.753470 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -14.903 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -13.990 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: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -176.809293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.809293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.809293 (E_RNA) where: Base-Base interactions energy: -111.982 where: short stacking energy: -52.961 Base-Backbone interact. energy: -0.029 local terms energy: -64.798243 where: bonds (distance) C4'-P energy: -10.987 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -9.842 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: 190 Temperature: 1.050000 Total energy: -155.831740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.831740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.831740 (E_RNA) where: Base-Base interactions energy: -91.403 where: short stacking energy: -53.443 Base-Backbone interact. energy: -0.387 local terms energy: -64.041491 where: bonds (distance) C4'-P energy: -11.870 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -11.622 tors. eta vs tors. theta energy: -12.225 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: 5, replica: 2 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -147.101107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.101107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.101107 (E_RNA) where: Base-Base interactions energy: -84.651 where: short stacking energy: -43.259 Base-Backbone interact. energy: -0.161 local terms energy: -62.289188 where: bonds (distance) C4'-P energy: -11.799 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -14.226 flat angles P-C4'-P energy: -7.871 tors. eta vs tors. theta energy: -13.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -97.030042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.030042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.030042 (E_RNA) where: Base-Base interactions energy: -53.397 where: short stacking energy: -32.032 Base-Backbone interact. energy: -0.005 local terms energy: -43.628352 where: bonds (distance) C4'-P energy: -14.263 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -9.586 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -2.713 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: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -90.225818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.225818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.225818 (E_RNA) where: Base-Base interactions energy: -39.119 where: short stacking energy: -34.002 Base-Backbone interact. energy: -0.301 local terms energy: -50.806333 where: bonds (distance) C4'-P energy: -6.310 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -13.602 flat angles P-C4'-P energy: -10.764 tors. eta vs tors. theta energy: -5.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -76.658278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.658278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.658278 (E_RNA) where: Base-Base interactions energy: -29.878 where: short stacking energy: -25.257 Base-Backbone interact. energy: 6.009 local terms energy: -52.789724 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -13.135 flat angles P-C4'-P energy: -9.565 tors. eta vs tors. theta energy: -3.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -71.178647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.178647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.178647 (E_RNA) where: Base-Base interactions energy: -27.167 where: short stacking energy: -23.715 Base-Backbone interact. energy: -0.088 local terms energy: -43.922859 where: bonds (distance) C4'-P energy: -11.055 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -9.800 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -72.066299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066299 (E_RNA) where: Base-Base interactions energy: -29.410 where: short stacking energy: -19.464 Base-Backbone interact. energy: 1.653 local terms energy: -44.309446 where: bonds (distance) C4'-P energy: -10.063 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -13.462 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -176.669741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.669741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.669741 (E_RNA) where: Base-Base interactions energy: -109.090 where: short stacking energy: -48.278 Base-Backbone interact. energy: -0.150 local terms energy: -67.429188 where: bonds (distance) C4'-P energy: -14.664 bonds (distance) P-C4' energy: -15.911 flat angles C4'-P-C4' energy: -15.287 flat angles P-C4'-P energy: -7.432 tors. eta vs tors. theta energy: -14.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -181.562685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.562685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.562685 (E_RNA) where: Base-Base interactions energy: -108.007 where: short stacking energy: -56.973 Base-Backbone interact. energy: -0.724 local terms energy: -72.830844 where: bonds (distance) C4'-P energy: -15.811 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -18.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -170.720620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.720620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.720620 (E_RNA) where: Base-Base interactions energy: -116.352 where: short stacking energy: -39.528 Base-Backbone interact. energy: -1.051 local terms energy: -53.318030 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -11.466 flat angles P-C4'-P energy: -8.972 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: 4, replica: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -147.738164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.738164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.738164 (E_RNA) where: Base-Base interactions energy: -94.189 where: short stacking energy: -43.314 Base-Backbone interact. energy: -0.051 local terms energy: -53.498436 where: bonds (distance) C4'-P energy: -10.523 bonds (distance) P-C4' energy: -9.238 flat angles C4'-P-C4' energy: -15.254 flat angles P-C4'-P energy: -3.186 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: 5, replica: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -147.996918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.996918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.996918 (E_RNA) where: Base-Base interactions energy: -86.279 where: short stacking energy: -40.660 Base-Backbone interact. energy: -0.114 local terms energy: -61.604394 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -11.322 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -11.181 tors. eta vs tors. theta energy: -13.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -120.265169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.265169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.265169 (E_RNA) where: Base-Base interactions energy: -69.679 where: short stacking energy: -31.533 Base-Backbone interact. energy: 0.328 local terms energy: -50.913363 where: bonds (distance) C4'-P energy: -7.953 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -9.649 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: 7, replica: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -86.238863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.238863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.238863 (E_RNA) where: Base-Base interactions energy: -35.205 where: short stacking energy: -21.940 Base-Backbone interact. energy: 0.625 local terms energy: -51.658636 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -15.374 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -5.762 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: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -79.247496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.247496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.247496 (E_RNA) where: Base-Base interactions energy: -31.192 where: short stacking energy: -31.192 Base-Backbone interact. energy: -0.054 local terms energy: -48.001440 where: bonds (distance) C4'-P energy: -8.982 bonds (distance) P-C4' energy: -10.361 flat angles C4'-P-C4' energy: -13.528 flat angles P-C4'-P energy: -9.507 tors. eta vs tors. theta energy: -5.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -69.846888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.846888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.846888 (E_RNA) where: Base-Base interactions energy: -23.171 where: short stacking energy: -23.171 Base-Backbone interact. energy: -0.025 local terms energy: -46.651298 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -10.574 flat angles P-C4'-P energy: -9.062 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: 10, replica: 6 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -80.483041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.483041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.483041 (E_RNA) where: Base-Base interactions energy: -27.043 where: short stacking energy: -25.697 Base-Backbone interact. energy: -0.208 local terms energy: -53.232723 where: bonds (distance) C4'-P energy: -12.983 bonds (distance) P-C4' energy: -14.878 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -10.613 tors. eta vs tors. theta energy: -3.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -176.446908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.446908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.446908 (E_RNA) where: Base-Base interactions energy: -116.577 where: short stacking energy: -60.708 Base-Backbone interact. energy: 0.605 local terms energy: -60.475526 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -9.937 flat angles C4'-P-C4' energy: -14.025 flat angles P-C4'-P energy: -7.655 tors. eta vs tors. theta energy: -14.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -172.943663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.943663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.943663 (E_RNA) where: Base-Base interactions energy: -99.887 where: short stacking energy: -57.174 Base-Backbone interact. energy: -0.644 local terms energy: -72.412488 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -12.787 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: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -172.311422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.311422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.311422 (E_RNA) where: Base-Base interactions energy: -113.386 where: short stacking energy: -37.144 Base-Backbone interact. energy: -0.454 local terms energy: -58.472303 where: bonds (distance) C4'-P energy: -13.243 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -14.481 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -6.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -131.783426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.783426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.783426 (E_RNA) where: Base-Base interactions energy: -82.430 where: short stacking energy: -37.489 Base-Backbone interact. energy: 0.106 local terms energy: -49.460068 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -14.670 flat angles C4'-P-C4' energy: -8.581 flat angles P-C4'-P energy: -5.232 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: 5, replica: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -157.860337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.860337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.860337 (E_RNA) where: Base-Base interactions energy: -99.280 where: short stacking energy: -48.902 Base-Backbone interact. energy: -0.017 local terms energy: -58.563337 where: bonds (distance) C4'-P energy: -14.197 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -14.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -93.631561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.631561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.631561 (E_RNA) where: Base-Base interactions energy: -35.143 where: short stacking energy: -34.878 Base-Backbone interact. energy: 0.001 local terms energy: -58.490518 where: bonds (distance) C4'-P energy: -13.253 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -15.625 flat angles P-C4'-P energy: -9.617 tors. eta vs tors. theta energy: -6.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -87.072579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.072579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.072579 (E_RNA) where: Base-Base interactions energy: -45.932 where: short stacking energy: -36.417 Base-Backbone interact. energy: 0.058 local terms energy: -41.198474 where: bonds (distance) C4'-P energy: -12.715 bonds (distance) P-C4' energy: -0.910 flat angles C4'-P-C4' energy: -12.468 flat angles P-C4'-P energy: -10.503 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: 8, replica: 5 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -85.281186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.281186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.281186 (E_RNA) where: Base-Base interactions energy: -29.599 where: short stacking energy: -28.926 Base-Backbone interact. energy: -0.209 local terms energy: -55.473882 where: bonds (distance) C4'-P energy: -15.546 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -7.032 tors. eta vs tors. theta energy: -6.690 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: 6 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -70.079867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.079867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.079867 (E_RNA) where: Base-Base interactions energy: -23.324 where: short stacking energy: -23.324 Base-Backbone interact. energy: -0.016 local terms energy: -46.740150 where: bonds (distance) C4'-P energy: -15.670 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -2.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -66.774234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.774234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.774234 (E_RNA) where: Base-Base interactions energy: -21.809 where: short stacking energy: -15.920 Base-Backbone interact. energy: -0.005 local terms energy: -44.960152 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -12.230 flat angles C4'-P-C4' energy: -10.943 flat angles P-C4'-P energy: -8.111 tors. eta vs tors. theta energy: 0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -188.695513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.695513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.695513 (E_RNA) where: Base-Base interactions energy: -126.123 where: short stacking energy: -44.208 Base-Backbone interact. energy: -1.143 local terms energy: -61.430070 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -12.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -180.000694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.000694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.000694 (E_RNA) where: Base-Base interactions energy: -117.055 where: short stacking energy: -56.550 Base-Backbone interact. energy: -0.677 local terms energy: -62.268877 where: bonds (distance) C4'-P energy: -11.424 bonds (distance) P-C4' energy: -12.682 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -20.533 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: 3, replica: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -164.512750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.512750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.512750 (E_RNA) where: Base-Base interactions energy: -103.251 where: short stacking energy: -47.937 Base-Backbone interact. energy: -0.262 local terms energy: -60.999513 where: bonds (distance) C4'-P energy: -13.504 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -10.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -144.630777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.630777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.630777 (E_RNA) where: Base-Base interactions energy: -81.456 where: short stacking energy: -54.934 Base-Backbone interact. energy: -0.002 local terms energy: -63.173238 where: bonds (distance) C4'-P energy: -14.499 bonds (distance) P-C4' energy: -14.878 flat angles C4'-P-C4' energy: -2.791 flat angles P-C4'-P energy: -11.146 tors. eta vs tors. theta energy: -19.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -144.350200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.350200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.350200 (E_RNA) where: Base-Base interactions energy: -87.875 where: short stacking energy: -44.503 Base-Backbone interact. energy: -0.133 local terms energy: -56.341598 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -8.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -130.552130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.552130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.552130 (E_RNA) where: Base-Base interactions energy: -74.731 where: short stacking energy: -40.185 Base-Backbone interact. energy: -0.561 local terms energy: -55.259453 where: bonds (distance) C4'-P energy: -10.041 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -11.718 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -10.685 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: 10 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -81.387417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.387417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.387417 (E_RNA) where: Base-Base interactions energy: -35.203 where: short stacking energy: -33.870 Base-Backbone interact. energy: 0.725 local terms energy: -46.909030 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -9.999 tors. eta vs tors. theta energy: -0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -75.029077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.029077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.029077 (E_RNA) where: Base-Base interactions energy: -36.723 where: short stacking energy: -21.267 Base-Backbone interact. energy: 1.135 local terms energy: -39.441197 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -12.993 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -8.199 tors. eta vs tors. theta energy: 1.726 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: 6 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -77.340662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.340662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.340662 (E_RNA) where: Base-Base interactions energy: -33.191 where: short stacking energy: -33.083 Base-Backbone interact. energy: -0.133 local terms energy: -44.016789 where: bonds (distance) C4'-P energy: -14.788 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -4.562 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: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -63.521270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.521270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.521270 (E_RNA) where: Base-Base interactions energy: -23.495 where: short stacking energy: -21.628 Base-Backbone interact. energy: 2.891 local terms energy: -42.917628 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -7.964 tors. eta vs tors. theta energy: 4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -180.295391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.295391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.295391 (E_RNA) where: Base-Base interactions energy: -111.749 where: short stacking energy: -52.055 Base-Backbone interact. energy: -0.192 local terms energy: -68.354956 where: bonds (distance) C4'-P energy: -13.842 bonds (distance) P-C4' energy: -14.527 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -11.330 tors. eta vs tors. theta energy: -14.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -180.971365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.971365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.971365 (E_RNA) where: Base-Base interactions energy: -118.826 where: short stacking energy: -54.832 Base-Backbone interact. energy: 0.775 local terms energy: -62.920284 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -12.518 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -10.957 tors. eta vs tors. theta energy: -15.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -182.006316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.006316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.006316 (E_RNA) where: Base-Base interactions energy: -115.519 where: short stacking energy: -53.489 Base-Backbone interact. energy: -0.374 local terms energy: -66.113653 where: bonds (distance) C4'-P energy: -12.205 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -15.045 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -15.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -178.961949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.961949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.961949 (E_RNA) where: Base-Base interactions energy: -110.877 where: short stacking energy: -53.620 Base-Backbone interact. energy: -2.591 local terms energy: -65.494370 where: bonds (distance) C4'-P energy: -12.073 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -10.857 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: 5, replica: 8 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -143.439089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.439089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.439089 (E_RNA) where: Base-Base interactions energy: -94.284 where: short stacking energy: -44.205 Base-Backbone interact. energy: -0.067 local terms energy: -49.088308 where: bonds (distance) C4'-P energy: -10.816 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -8.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -151.598454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.598454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.598454 (E_RNA) where: Base-Base interactions energy: -88.604 where: short stacking energy: -45.722 Base-Backbone interact. energy: -0.102 local terms energy: -62.892485 where: bonds (distance) C4'-P energy: -15.077 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -14.198 flat angles P-C4'-P energy: -8.106 tors. eta vs tors. theta energy: -13.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -78.212906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.212906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.212906 (E_RNA) where: Base-Base interactions energy: -40.253 where: short stacking energy: -26.303 Base-Backbone interact. energy: 2.873 local terms energy: -40.833680 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -9.918 flat angles C4'-P-C4' energy: -11.520 flat angles P-C4'-P energy: -7.119 tors. eta vs tors. theta energy: -0.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -77.762916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.762916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.762916 (E_RNA) where: Base-Base interactions energy: -35.305 where: short stacking energy: -28.163 Base-Backbone interact. energy: -0.294 local terms energy: -42.164451 where: bonds (distance) C4'-P energy: -11.324 bonds (distance) P-C4' energy: -7.571 flat angles C4'-P-C4' energy: -10.639 flat angles P-C4'-P energy: -8.118 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -75.700037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.700037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.700037 (E_RNA) where: Base-Base interactions energy: -24.151 where: short stacking energy: -23.149 Base-Backbone interact. energy: 0.884 local terms energy: -52.433766 where: bonds (distance) C4'-P energy: -14.777 bonds (distance) P-C4' energy: -12.400 flat angles C4'-P-C4' energy: -14.656 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -4.377 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: 6 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -70.747000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.747000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.747000 (E_RNA) where: Base-Base interactions energy: -23.389 where: short stacking energy: -21.586 Base-Backbone interact. energy: -0.101 local terms energy: -47.257049 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -9.290 flat angles P-C4'-P energy: -7.976 tors. eta vs tors. theta energy: -5.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -183.249463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.249463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.249463 (E_RNA) where: Base-Base interactions energy: -113.805 where: short stacking energy: -56.254 Base-Backbone interact. energy: -0.305 local terms energy: -69.139864 where: bonds (distance) C4'-P energy: -14.897 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -10.395 tors. eta vs tors. theta energy: -15.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -179.149550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.149550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.149550 (E_RNA) where: Base-Base interactions energy: -109.385 where: short stacking energy: -49.167 Base-Backbone interact. energy: 0.018 local terms energy: -69.782751 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -16.349 flat angles P-C4'-P energy: -9.579 tors. eta vs tors. theta energy: -16.207 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: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -165.217835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.217835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.217835 (E_RNA) where: Base-Base interactions energy: -99.574 where: short stacking energy: -40.972 Base-Backbone interact. energy: -0.523 local terms energy: -65.120513 where: bonds (distance) C4'-P energy: -14.905 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -15.566 flat angles P-C4'-P energy: -10.477 tors. eta vs tors. theta energy: -11.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -165.203475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.203475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.203475 (E_RNA) where: Base-Base interactions energy: -95.038 where: short stacking energy: -48.698 Base-Backbone interact. energy: -0.460 local terms energy: -69.705216 where: bonds (distance) C4'-P energy: -15.115 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -12.005 tors. eta vs tors. theta energy: -13.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -141.364558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.364558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.364558 (E_RNA) where: Base-Base interactions energy: -85.066 where: short stacking energy: -47.875 Base-Backbone interact. energy: -0.518 local terms energy: -55.780469 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -10.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -151.926791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.926791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.926791 (E_RNA) where: Base-Base interactions energy: -94.798 where: short stacking energy: -51.249 Base-Backbone interact. energy: -0.158 local terms energy: -56.971673 where: bonds (distance) C4'-P energy: -11.648 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -10.834 flat angles P-C4'-P energy: -10.867 tors. eta vs tors. theta energy: -10.218 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: 10 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -90.868083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.868083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.868083 (E_RNA) where: Base-Base interactions energy: -42.099 where: short stacking energy: -29.898 Base-Backbone interact. energy: -0.102 local terms energy: -48.667400 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -10.318 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -7.669 tors. eta vs tors. theta energy: -6.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -81.246852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.246852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.246852 (E_RNA) where: Base-Base interactions energy: -33.250 where: short stacking energy: -23.877 Base-Backbone interact. energy: 0.205 local terms energy: -48.202366 where: bonds (distance) C4'-P energy: -11.542 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -2.662 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: 5 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -82.337892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.337892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.337892 (E_RNA) where: Base-Base interactions energy: -35.246 where: short stacking energy: -32.308 Base-Backbone interact. energy: -0.056 local terms energy: -47.035660 where: bonds (distance) C4'-P energy: -10.716 bonds (distance) P-C4' energy: -11.898 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -8.219 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: 195 Temperature: 1.350000 Total energy: -71.356036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.356036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.356036 (E_RNA) where: Base-Base interactions energy: -26.515 where: short stacking energy: -23.363 Base-Backbone interact. energy: -0.103 local terms energy: -44.738296 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -10.189 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -4.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -186.047756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.047756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.047756 (E_RNA) where: Base-Base interactions energy: -129.299 where: short stacking energy: -60.497 Base-Backbone interact. energy: -0.077 local terms energy: -56.672153 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -10.204 flat angles C4'-P-C4' energy: -12.623 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -14.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -167.850835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.850835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.850835 (E_RNA) where: Base-Base interactions energy: -97.575 where: short stacking energy: -56.201 Base-Backbone interact. energy: -0.628 local terms energy: -69.648424 where: bonds (distance) C4'-P energy: -16.668 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -11.002 tors. eta vs tors. theta energy: -12.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -173.411598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.411598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.411598 (E_RNA) where: Base-Base interactions energy: -109.914 where: short stacking energy: -45.875 Base-Backbone interact. energy: -0.392 local terms energy: -63.105506 where: bonds (distance) C4'-P energy: -13.800 bonds (distance) P-C4' energy: -13.576 flat angles C4'-P-C4' energy: -15.332 flat angles P-C4'-P energy: -9.765 tors. eta vs tors. theta energy: -10.633 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: 4, replica: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -163.009814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.009814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.009814 (E_RNA) where: Base-Base interactions energy: -100.053 where: short stacking energy: -57.201 Base-Backbone interact. energy: 0.445 local terms energy: -63.402316 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -10.248 tors. eta vs tors. theta energy: -14.335 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: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -162.982067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.982067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.982067 (E_RNA) where: Base-Base interactions energy: -104.659 where: short stacking energy: -49.851 Base-Backbone interact. energy: -0.344 local terms energy: -57.979175 where: bonds (distance) C4'-P energy: -10.450 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -11.795 flat angles P-C4'-P energy: -9.835 tors. eta vs tors. theta energy: -13.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -133.203225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.203225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.203225 (E_RNA) where: Base-Base interactions energy: -81.260 where: short stacking energy: -44.088 Base-Backbone interact. energy: -0.590 local terms energy: -51.353343 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -15.369 flat angles P-C4'-P energy: -9.760 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: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -75.459698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.459698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.459698 (E_RNA) where: Base-Base interactions energy: -24.024 where: short stacking energy: -24.024 Base-Backbone interact. energy: -0.076 local terms energy: -51.359760 where: bonds (distance) C4'-P energy: -15.038 bonds (distance) P-C4' energy: -12.341 flat angles C4'-P-C4' energy: -10.408 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -4.394 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: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -71.249851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.249851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.249851 (E_RNA) where: Base-Base interactions energy: -26.918 where: short stacking energy: -25.223 Base-Backbone interact. energy: -0.091 local terms energy: -44.241140 where: bonds (distance) C4'-P energy: -12.759 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -10.666 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -85.248756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.248756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.248756 (E_RNA) where: Base-Base interactions energy: -32.770 where: short stacking energy: -28.395 Base-Backbone interact. energy: -0.133 local terms energy: -52.346526 where: bonds (distance) C4'-P energy: -13.311 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -12.480 flat angles P-C4'-P energy: -7.848 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: 6 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -71.866323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.866323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.866323 (E_RNA) where: Base-Base interactions energy: -27.208 where: short stacking energy: -27.208 Base-Backbone interact. energy: -0.453 local terms energy: -44.204972 where: bonds (distance) C4'-P energy: -9.904 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -11.065 tors. eta vs tors. theta energy: -4.754 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: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -195.294988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.294988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.294988 (E_RNA) where: Base-Base interactions energy: -132.533 where: short stacking energy: -60.222 Base-Backbone interact. energy: -0.524 local terms energy: -62.238199 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -10.518 flat angles C4'-P-C4' energy: -14.543 flat angles P-C4'-P energy: -10.129 tors. eta vs tors. theta energy: -13.029 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: 3 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -185.132696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.132696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.132696 (E_RNA) where: Base-Base interactions energy: -115.566 where: short stacking energy: -68.377 Base-Backbone interact. energy: -0.002 local terms energy: -69.563867 where: bonds (distance) C4'-P energy: -13.514 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -15.345 flat angles P-C4'-P energy: -9.830 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: 3, replica: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -157.241269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.241269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.241269 (E_RNA) where: Base-Base interactions energy: -97.590 where: short stacking energy: -48.748 Base-Backbone interact. energy: -0.335 local terms energy: -59.316240 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -11.420 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -12.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -164.485207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.485207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.485207 (E_RNA) where: Base-Base interactions energy: -98.792 where: short stacking energy: -47.172 Base-Backbone interact. energy: -0.356 local terms energy: -65.336520 where: bonds (distance) C4'-P energy: -11.656 bonds (distance) P-C4' energy: -16.683 flat angles C4'-P-C4' energy: -14.313 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -15.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -148.033499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.033499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.033499 (E_RNA) where: Base-Base interactions energy: -89.531 where: short stacking energy: -41.636 Base-Backbone interact. energy: -0.192 local terms energy: -58.309966 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -13.074 flat angles C4'-P-C4' energy: -14.658 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -10.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -141.076239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.076239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.076239 (E_RNA) where: Base-Base interactions energy: -82.199 where: short stacking energy: -35.302 Base-Backbone interact. energy: -0.083 local terms energy: -58.794252 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -8.225 tors. eta vs tors. theta energy: -6.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -82.809111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.809111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.809111 (E_RNA) where: Base-Base interactions energy: -30.765 where: short stacking energy: -30.765 Base-Backbone interact. energy: -0.776 local terms energy: -51.268251 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -10.253 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -6.617 tors. eta vs tors. theta energy: -11.916 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: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -78.286926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.286926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.286926 (E_RNA) where: Base-Base interactions energy: -32.561 where: short stacking energy: -24.531 Base-Backbone interact. energy: -0.112 local terms energy: -45.613868 where: bonds (distance) C4'-P energy: -7.308 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -14.383 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -94.624702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.624702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.624702 (E_RNA) where: Base-Base interactions energy: -36.453 where: short stacking energy: -36.453 Base-Backbone interact. energy: 0.654 local terms energy: -58.826528 where: bonds (distance) C4'-P energy: -11.905 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -14.582 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -11.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -71.982456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.982456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.982456 (E_RNA) where: Base-Base interactions energy: -27.386 where: short stacking energy: -14.931 Base-Backbone interact. energy: -0.267 local terms energy: -44.330026 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -10.546 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -175.472361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.472361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.472361 (E_RNA) where: Base-Base interactions energy: -115.240 where: short stacking energy: -53.585 Base-Backbone interact. energy: -0.671 local terms energy: -59.561285 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -15.097 flat angles P-C4'-P energy: -6.518 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: 2, replica: 7 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -186.264918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.264918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.264918 (E_RNA) where: Base-Base interactions energy: -119.711 where: short stacking energy: -57.627 Base-Backbone interact. energy: -0.613 local terms energy: -65.941343 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -13.520 flat angles P-C4'-P energy: -7.843 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: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -182.000368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.000368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.000368 (E_RNA) where: Base-Base interactions energy: -117.892 where: short stacking energy: -52.634 Base-Backbone interact. energy: -0.171 local terms energy: -63.937373 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -16.700 flat angles C4'-P-C4' energy: -14.639 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -11.602 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: 198 Temperature: 1.050000 Total energy: -157.595391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.595391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.595391 (E_RNA) where: Base-Base interactions energy: -96.142 where: short stacking energy: -47.466 Base-Backbone interact. energy: -0.364 local terms energy: -61.089392 where: bonds (distance) C4'-P energy: -12.925 bonds (distance) P-C4' energy: -10.344 flat angles C4'-P-C4' energy: -12.993 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: -13.425 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: 198 Temperature: 1.100000 Total energy: -161.567607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.567607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.567607 (E_RNA) where: Base-Base interactions energy: -105.719 where: short stacking energy: -52.673 Base-Backbone interact. energy: -0.555 local terms energy: -55.293549 where: bonds (distance) C4'-P energy: -10.471 bonds (distance) P-C4' energy: -10.377 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -8.938 tors. eta vs tors. theta energy: -12.364 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: 8 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -127.486619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.486619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.486619 (E_RNA) where: Base-Base interactions energy: -72.263 where: short stacking energy: -41.408 Base-Backbone interact. energy: -0.173 local terms energy: -55.050805 where: bonds (distance) C4'-P energy: -11.799 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -8.201 tors. eta vs tors. theta energy: -6.754 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: 10 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -89.062160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.062160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.062160 (E_RNA) where: Base-Base interactions energy: -38.487 where: short stacking energy: -30.623 Base-Backbone interact. energy: -0.149 local terms energy: -50.425880 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -8.290 flat angles C4'-P-C4' energy: -10.288 flat angles P-C4'-P energy: -10.226 tors. eta vs tors. theta energy: -7.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -90.779461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.779461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.779461 (E_RNA) where: Base-Base interactions energy: -39.156 where: short stacking energy: -20.575 Base-Backbone interact. energy: -0.188 local terms energy: -51.435477 where: bonds (distance) C4'-P energy: -15.057 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -10.578 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -69.980144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.980144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.980144 (E_RNA) where: Base-Base interactions energy: -21.600 where: short stacking energy: -21.600 Base-Backbone interact. energy: -0.145 local terms energy: -48.235124 where: bonds (distance) C4'-P energy: -12.226 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -4.964 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: 5 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -71.612104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.612104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.612104 (E_RNA) where: Base-Base interactions energy: -24.632 where: short stacking energy: -23.549 Base-Backbone interact. energy: -0.028 local terms energy: -46.952023 where: bonds (distance) C4'-P energy: -7.586 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -12.510 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -1.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -180.479158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.479158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.479158 (E_RNA) where: Base-Base interactions energy: -113.267 where: short stacking energy: -46.202 Base-Backbone interact. energy: -0.585 local terms energy: -66.626936 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -16.319 flat angles P-C4'-P energy: -12.000 tors. eta vs tors. theta energy: -11.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -190.514801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.514801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.514801 (E_RNA) where: Base-Base interactions energy: -124.160 where: short stacking energy: -56.644 Base-Backbone interact. energy: -0.240 local terms energy: -66.114593 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -15.837 flat angles P-C4'-P energy: -7.017 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: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -175.923097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.923097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.923097 (E_RNA) where: Base-Base interactions energy: -112.333 where: short stacking energy: -55.066 Base-Backbone interact. energy: 0.738 local terms energy: -64.328263 where: bonds (distance) C4'-P energy: -9.712 bonds (distance) P-C4' energy: -14.746 flat angles C4'-P-C4' energy: -15.610 flat angles P-C4'-P energy: -9.558 tors. eta vs tors. theta energy: -14.702 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: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -159.505524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.505524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.505524 (E_RNA) where: Base-Base interactions energy: -94.039 where: short stacking energy: -51.332 Base-Backbone interact. energy: -0.210 local terms energy: -65.256558 where: bonds (distance) C4'-P energy: -16.154 bonds (distance) P-C4' energy: -10.537 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -10.269 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: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -145.702888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.702888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.702888 (E_RNA) where: Base-Base interactions energy: -89.755 where: short stacking energy: -37.925 Base-Backbone interact. energy: -0.746 local terms energy: -55.201384 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -10.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -154.256558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.256558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.256558 (E_RNA) where: Base-Base interactions energy: -93.403 where: short stacking energy: -52.946 Base-Backbone interact. energy: -0.092 local terms energy: -60.761693 where: bonds (distance) C4'-P energy: -10.380 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -11.823 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -87.974588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.974588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.974588 (E_RNA) where: Base-Base interactions energy: -39.088 where: short stacking energy: -21.860 Base-Backbone interact. energy: -0.135 local terms energy: -48.751508 where: bonds (distance) C4'-P energy: -13.884 bonds (distance) P-C4' energy: -9.732 flat angles C4'-P-C4' energy: -16.170 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -84.735821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.735821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.735821 (E_RNA) where: Base-Base interactions energy: -48.412 where: short stacking energy: -33.469 Base-Backbone interact. energy: -0.634 local terms energy: -35.689392 where: bonds (distance) C4'-P energy: -10.094 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -3.968 flat angles P-C4'-P energy: -2.765 tors. eta vs tors. theta energy: -6.848 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: 6 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -77.673092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.673092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.673092 (E_RNA) where: Base-Base interactions energy: -34.233 where: short stacking energy: -33.620 Base-Backbone interact. energy: 0.509 local terms energy: -43.949220 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -10.659 flat angles C4'-P-C4' energy: -10.412 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -5.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -65.603305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.603305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.603305 (E_RNA) where: Base-Base interactions energy: -19.855 where: short stacking energy: -19.855 Base-Backbone interact. energy: 0.323 local terms energy: -46.071383 where: bonds (distance) C4'-P energy: -12.419 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -185.580107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.580107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.580107 (E_RNA) where: Base-Base interactions energy: -115.841 where: short stacking energy: -61.124 Base-Backbone interact. energy: -0.369 local terms energy: -69.369914 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -14.758 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -17.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -177.568988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.568988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.568988 (E_RNA) where: Base-Base interactions energy: -105.876 where: short stacking energy: -51.694 Base-Backbone interact. energy: -0.449 local terms energy: -71.243750 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -14.520 flat angles P-C4'-P energy: -12.957 tors. eta vs tors. theta energy: -15.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -168.717848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.717848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.717848 (E_RNA) where: Base-Base interactions energy: -102.555 where: short stacking energy: -49.842 Base-Backbone interact. energy: -0.457 local terms energy: -65.706061 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -12.759 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -10.485 tors. eta vs tors. theta energy: -15.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -151.736585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.736585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.736585 (E_RNA) where: Base-Base interactions energy: -90.767 where: short stacking energy: -38.985 Base-Backbone interact. energy: 0.187 local terms energy: -61.156631 where: bonds (distance) C4'-P energy: -15.857 bonds (distance) P-C4' energy: -14.512 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -9.679 tors. eta vs tors. theta energy: -9.239 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: 200 Temperature: 1.100000 Total energy: -148.862309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.862309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.862309 (E_RNA) where: Base-Base interactions energy: -92.032 where: short stacking energy: -39.683 Base-Backbone interact. energy: -0.006 local terms energy: -56.824311 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -10.944 flat angles C4'-P-C4' energy: -13.456 flat angles P-C4'-P energy: -7.059 tors. eta vs tors. theta energy: -10.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -98.573319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.573319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.573319 (E_RNA) where: Base-Base interactions energy: -53.456 where: short stacking energy: -32.392 Base-Backbone interact. energy: 0.170 local terms energy: -45.287820 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -12.242 flat angles P-C4'-P energy: -11.096 tors. eta vs tors. theta energy: -4.724 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: 200 Temperature: 1.200000 Total energy: -75.859625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.859625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.859625 (E_RNA) where: Base-Base interactions energy: -24.805 where: short stacking energy: -21.907 Base-Backbone interact. energy: -0.314 local terms energy: -50.740087 where: bonds (distance) C4'-P energy: -15.973 bonds (distance) P-C4' energy: -13.449 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: 0.119 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: 8, replica: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -86.731039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.731039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.731039 (E_RNA) where: Base-Base interactions energy: -38.413 where: short stacking energy: -32.018 Base-Backbone interact. energy: 0.653 local terms energy: -48.971345 where: bonds (distance) C4'-P energy: -13.547 bonds (distance) P-C4' energy: -11.025 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -11.730 tors. eta vs tors. theta energy: -6.496 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: 9, replica: 5 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -68.674424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.674424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.674424 (E_RNA) where: Base-Base interactions energy: -25.599 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.187 local terms energy: -42.888222 where: bonds (distance) C4'-P energy: -10.586 bonds (distance) P-C4' energy: -15.360 flat angles C4'-P-C4' energy: -13.618 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: 0.786 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: 6 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -70.538074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.538074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.538074 (E_RNA) where: Base-Base interactions energy: -40.421 where: short stacking energy: -20.846 Base-Backbone interact. energy: -0.456 local terms energy: -29.660555 where: bonds (distance) C4'-P energy: -7.904 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -2.782 tors. eta vs tors. theta energy: 0.990 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: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -190.443842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.443842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.443842 (E_RNA) where: Base-Base interactions energy: -125.677 where: short stacking energy: -58.164 Base-Backbone interact. energy: -0.186 local terms energy: -64.580200 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -15.435 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -14.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -176.568107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.568107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.568107 (E_RNA) where: Base-Base interactions energy: -113.661 where: short stacking energy: -57.487 Base-Backbone interact. energy: -0.087 local terms energy: -62.820211 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -10.695 flat angles C4'-P-C4' energy: -15.818 flat angles P-C4'-P energy: -10.483 tors. eta vs tors. theta energy: -12.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -177.048298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.048298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.048298 (E_RNA) where: Base-Base interactions energy: -106.526 where: short stacking energy: -57.575 Base-Backbone interact. energy: -0.001 local terms energy: -70.522077 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -13.718 flat angles P-C4'-P energy: -8.927 tors. eta vs tors. theta energy: -18.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -160.918371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.918371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.918371 (E_RNA) where: Base-Base interactions energy: -96.420 where: short stacking energy: -49.549 Base-Backbone interact. energy: -0.648 local terms energy: -63.850023 where: bonds (distance) C4'-P energy: -13.244 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -12.035 tors. eta vs tors. theta energy: -11.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -144.294293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.294293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.294293 (E_RNA) where: Base-Base interactions energy: -80.258 where: short stacking energy: -36.385 Base-Backbone interact. energy: -0.120 local terms energy: -63.916101 where: bonds (distance) C4'-P energy: -16.088 bonds (distance) P-C4' energy: -13.577 flat angles C4'-P-C4' energy: -11.165 flat angles P-C4'-P energy: -11.289 tors. eta vs tors. theta energy: -11.797 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: 8 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -119.335207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.335207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.335207 (E_RNA) where: Base-Base interactions energy: -64.469 where: short stacking energy: -32.460 Base-Backbone interact. energy: -0.324 local terms energy: -54.542999 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -9.355 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: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -101.909960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.909960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.909960 (E_RNA) where: Base-Base interactions energy: -58.689 where: short stacking energy: -28.101 Base-Backbone interact. energy: -0.165 local terms energy: -43.055858 where: bonds (distance) C4'-P energy: -8.345 bonds (distance) P-C4' energy: -14.425 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -8.323 tors. eta vs tors. theta energy: -6.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -72.110887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.110887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.110887 (E_RNA) where: Base-Base interactions energy: -29.401 where: short stacking energy: -29.401 Base-Backbone interact. energy: -0.156 local terms energy: -42.553556 where: bonds (distance) C4'-P energy: -8.979 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -6.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -73.183240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.183240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.183240 (E_RNA) where: Base-Base interactions energy: -23.091 where: short stacking energy: -24.691 Base-Backbone interact. energy: -0.313 local terms energy: -49.779943 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -11.158 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -5.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -66.343894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.343894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.343894 (E_RNA) where: Base-Base interactions energy: -23.594 where: short stacking energy: -23.594 Base-Backbone interact. energy: -0.234 local terms energy: -42.515647 where: bonds (distance) C4'-P energy: -11.244 bonds (distance) P-C4' energy: -12.686 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -10.023 tors. eta vs tors. theta energy: -2.342 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: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -180.911747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.911747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.911747 (E_RNA) where: Base-Base interactions energy: -112.094 where: short stacking energy: -51.931 Base-Backbone interact. energy: 1.611 local terms energy: -70.428928 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -14.862 flat angles P-C4'-P energy: -11.921 tors. eta vs tors. theta energy: -12.831 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: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -180.385177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.385177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.385177 (E_RNA) where: Base-Base interactions energy: -119.335 where: short stacking energy: -59.613 Base-Backbone interact. energy: -0.154 local terms energy: -60.896950 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -14.267 flat angles C4'-P-C4' energy: -12.893 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -17.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -175.986527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.986527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.986527 (E_RNA) where: Base-Base interactions energy: -110.423 where: short stacking energy: -55.273 Base-Backbone interact. energy: 0.567 local terms energy: -66.130775 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -15.424 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -8.830 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: 4, replica: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -163.548212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.548212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.548212 (E_RNA) where: Base-Base interactions energy: -104.445 where: short stacking energy: -37.993 Base-Backbone interact. energy: -0.159 local terms energy: -58.944406 where: bonds (distance) C4'-P energy: -11.282 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -11.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -137.145573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.145573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.145573 (E_RNA) where: Base-Base interactions energy: -78.176 where: short stacking energy: -40.402 Base-Backbone interact. energy: -0.010 local terms energy: -58.959244 where: bonds (distance) C4'-P energy: -14.560 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -13.515 flat angles P-C4'-P energy: -7.560 tors. eta vs tors. theta energy: -10.246 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: 6, replica: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -137.488808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.488808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.488808 (E_RNA) where: Base-Base interactions energy: -80.610 where: short stacking energy: -41.278 Base-Backbone interact. energy: -0.998 local terms energy: -55.880278 where: bonds (distance) C4'-P energy: -9.940 bonds (distance) P-C4' energy: -14.676 flat angles C4'-P-C4' energy: -13.372 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -11.001 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: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -101.789428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.789428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.789428 (E_RNA) where: Base-Base interactions energy: -53.328 where: short stacking energy: -30.098 Base-Backbone interact. energy: -0.366 local terms energy: -48.095542 where: bonds (distance) C4'-P energy: -10.681 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -11.110 flat angles P-C4'-P energy: -7.158 tors. eta vs tors. theta energy: -4.021 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: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -87.519440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.519440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.519440 (E_RNA) where: Base-Base interactions energy: -34.899 where: short stacking energy: -30.183 Base-Backbone interact. energy: -0.075 local terms energy: -52.545845 where: bonds (distance) C4'-P energy: -13.253 bonds (distance) P-C4' energy: -12.841 flat angles C4'-P-C4' energy: -11.557 flat angles P-C4'-P energy: -7.810 tors. eta vs tors. theta energy: -7.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -86.362477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.362477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.362477 (E_RNA) where: Base-Base interactions energy: -29.754 where: short stacking energy: -24.813 Base-Backbone interact. energy: 0.032 local terms energy: -56.640149 where: bonds (distance) C4'-P energy: -11.239 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -12.129 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -10.315 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: 6 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -64.949897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.949897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.949897 (E_RNA) where: Base-Base interactions energy: -23.602 where: short stacking energy: -23.602 Base-Backbone interact. energy: -0.260 local terms energy: -41.087803 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -11.054 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -186.904629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.904629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.904629 (E_RNA) where: Base-Base interactions energy: -117.805 where: short stacking energy: -60.539 Base-Backbone interact. energy: -0.209 local terms energy: -68.890372 where: bonds (distance) C4'-P energy: -11.741 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -16.917 flat angles P-C4'-P energy: -8.918 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: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -176.272601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.272601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.272601 (E_RNA) where: Base-Base interactions energy: -112.014 where: short stacking energy: -52.882 Base-Backbone interact. energy: -0.360 local terms energy: -63.898850 where: bonds (distance) C4'-P energy: -16.204 bonds (distance) P-C4' energy: -13.819 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -7.368 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: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -178.018079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.018079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.018079 (E_RNA) where: Base-Base interactions energy: -115.970 where: short stacking energy: -58.741 Base-Backbone interact. energy: -0.000 local terms energy: -62.047583 where: bonds (distance) C4'-P energy: -11.800 bonds (distance) P-C4' energy: -10.982 flat angles C4'-P-C4' energy: -16.577 flat angles P-C4'-P energy: -6.801 tors. eta vs tors. theta energy: -15.887 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: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -145.802499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.802499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.802499 (E_RNA) where: Base-Base interactions energy: -86.264 where: short stacking energy: -42.999 Base-Backbone interact. energy: -0.132 local terms energy: -59.406381 where: bonds (distance) C4'-P energy: -12.032 bonds (distance) P-C4' energy: -11.930 flat angles C4'-P-C4' energy: -15.236 flat angles P-C4'-P energy: -8.732 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: 5, replica: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -155.537974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.537974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.537974 (E_RNA) where: Base-Base interactions energy: -100.874 where: short stacking energy: -43.806 Base-Backbone interact. energy: 0.653 local terms energy: -55.316537 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -10.219 flat angles C4'-P-C4' energy: -15.429 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -13.521 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: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -78.984500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.984500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.984500 (E_RNA) where: Base-Base interactions energy: -27.759 where: short stacking energy: -23.566 Base-Backbone interact. energy: 0.900 local terms energy: -52.125387 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -15.625 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -115.218053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.218053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.218053 (E_RNA) where: Base-Base interactions energy: -74.651 where: short stacking energy: -31.601 Base-Backbone interact. energy: -0.208 local terms energy: -40.359193 where: bonds (distance) C4'-P energy: -11.406 bonds (distance) P-C4' energy: -11.562 flat angles C4'-P-C4' energy: -9.654 flat angles P-C4'-P energy: -4.209 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: 8, replica: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -83.222084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.222084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.222084 (E_RNA) where: Base-Base interactions energy: -35.421 where: short stacking energy: -33.086 Base-Backbone interact. energy: -0.015 local terms energy: -47.786362 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -10.834 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -8.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -70.239667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.239667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.239667 (E_RNA) where: Base-Base interactions energy: -35.680 where: short stacking energy: -20.022 Base-Backbone interact. energy: -0.130 local terms energy: -34.429428 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -9.600 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: 0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -64.286122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.286122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.286122 (E_RNA) where: Base-Base interactions energy: -21.348 where: short stacking energy: -18.146 Base-Backbone interact. energy: -0.216 local terms energy: -42.722138 where: bonds (distance) C4'-P energy: -12.272 bonds (distance) P-C4' energy: -12.692 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: 3.323 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: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -173.341544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.341544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.341544 (E_RNA) where: Base-Base interactions energy: -106.903 where: short stacking energy: -51.821 Base-Backbone interact. energy: -0.113 local terms energy: -66.325522 where: bonds (distance) C4'-P energy: -16.291 bonds (distance) P-C4' energy: -11.309 flat angles C4'-P-C4' energy: -12.010 flat angles P-C4'-P energy: -12.474 tors. eta vs tors. theta energy: -14.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -183.957065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.957065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.957065 (E_RNA) where: Base-Base interactions energy: -121.012 where: short stacking energy: -55.911 Base-Backbone interact. energy: 0.273 local terms energy: -63.218441 where: bonds (distance) C4'-P energy: -9.583 bonds (distance) P-C4' energy: -13.520 flat angles C4'-P-C4' energy: -15.473 flat angles P-C4'-P energy: -8.984 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: 3, replica: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -172.606254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.606254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.606254 (E_RNA) where: Base-Base interactions energy: -110.180 where: short stacking energy: -48.211 Base-Backbone interact. energy: -0.149 local terms energy: -62.277706 where: bonds (distance) C4'-P energy: -16.336 bonds (distance) P-C4' energy: -15.646 flat angles C4'-P-C4' energy: -10.934 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -12.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -157.760323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.760323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.760323 (E_RNA) where: Base-Base interactions energy: -96.600 where: short stacking energy: -56.372 Base-Backbone interact. energy: 0.647 local terms energy: -61.807974 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -13.795 flat angles C4'-P-C4' energy: -12.899 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -10.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -166.570412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.570412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.570412 (E_RNA) where: Base-Base interactions energy: -98.847 where: short stacking energy: -51.177 Base-Backbone interact. energy: -0.925 local terms energy: -66.798822 where: bonds (distance) C4'-P energy: -10.487 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -16.804 flat angles P-C4'-P energy: -10.659 tors. eta vs tors. theta energy: -14.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -107.205638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.205638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.205638 (E_RNA) where: Base-Base interactions energy: -56.308 where: short stacking energy: -26.809 Base-Backbone interact. energy: -0.093 local terms energy: -50.805038 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -11.549 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -6.585 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -107.216814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.216814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.216814 (E_RNA) where: Base-Base interactions energy: -63.128 where: short stacking energy: -35.804 Base-Backbone interact. energy: 1.526 local terms energy: -45.614376 where: bonds (distance) C4'-P energy: -10.350 bonds (distance) P-C4' energy: -9.638 flat angles C4'-P-C4' energy: -11.544 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -8.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -80.862541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.862541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.862541 (E_RNA) where: Base-Base interactions energy: -33.716 where: short stacking energy: -17.393 Base-Backbone interact. energy: 0.054 local terms energy: -47.200088 where: bonds (distance) C4'-P energy: -12.819 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: 1.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -79.600886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.600886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.600886 (E_RNA) where: Base-Base interactions energy: -28.452 where: short stacking energy: -28.345 Base-Backbone interact. energy: -0.147 local terms energy: -51.001710 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -12.953 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -10.772 tors. eta vs tors. theta energy: -7.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -64.869508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.869508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.869508 (E_RNA) where: Base-Base interactions energy: -23.179 where: short stacking energy: -23.179 Base-Backbone interact. energy: -0.148 local terms energy: -41.542633 where: bonds (distance) C4'-P energy: -9.766 bonds (distance) P-C4' energy: -11.420 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: 1.974 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: 1, replica: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -174.288242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.288242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.288242 (E_RNA) where: Base-Base interactions energy: -112.372 where: short stacking energy: -56.613 Base-Backbone interact. energy: -0.011 local terms energy: -61.905342 where: bonds (distance) C4'-P energy: -8.314 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -13.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -177.878287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.878287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.878287 (E_RNA) where: Base-Base interactions energy: -113.194 where: short stacking energy: -49.772 Base-Backbone interact. energy: -1.032 local terms energy: -63.651772 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -11.535 flat angles P-C4'-P energy: -12.301 tors. eta vs tors. theta energy: -14.026 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: 205 Temperature: 1.000000 Total energy: -170.515527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.515527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.515527 (E_RNA) where: Base-Base interactions energy: -101.114 where: short stacking energy: -54.587 Base-Backbone interact. energy: -0.791 local terms energy: -68.610125 where: bonds (distance) C4'-P energy: -10.346 bonds (distance) P-C4' energy: -16.610 flat angles C4'-P-C4' energy: -15.870 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -15.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -165.526782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.526782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.526782 (E_RNA) where: Base-Base interactions energy: -104.964 where: short stacking energy: -52.208 Base-Backbone interact. energy: 1.603 local terms energy: -62.166604 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -15.331 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -13.948 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: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -139.266190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.266190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.266190 (E_RNA) where: Base-Base interactions energy: -79.977 where: short stacking energy: -48.901 Base-Backbone interact. energy: -0.040 local terms energy: -59.249119 where: bonds (distance) C4'-P energy: -12.181 bonds (distance) P-C4' energy: -11.129 flat angles C4'-P-C4' energy: -14.440 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -14.560 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: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -105.913394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.913394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.913394 (E_RNA) where: Base-Base interactions energy: -46.548 where: short stacking energy: -31.004 Base-Backbone interact. energy: -0.175 local terms energy: -59.190432 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -16.471 flat angles C4'-P-C4' energy: -10.601 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -9.222 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: 7, replica: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -105.810307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.810307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.810307 (E_RNA) where: Base-Base interactions energy: -57.912 where: short stacking energy: -27.977 Base-Backbone interact. energy: -0.288 local terms energy: -47.610931 where: bonds (distance) C4'-P energy: -10.235 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -8.621 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -85.107240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.107240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.107240 (E_RNA) where: Base-Base interactions energy: -33.535 where: short stacking energy: -33.535 Base-Backbone interact. energy: -0.782 local terms energy: -50.789996 where: bonds (distance) C4'-P energy: -9.626 bonds (distance) P-C4' energy: -10.734 flat angles C4'-P-C4' energy: -13.572 flat angles P-C4'-P energy: -9.575 tors. eta vs tors. theta energy: -7.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -89.059673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.059673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.059673 (E_RNA) where: Base-Base interactions energy: -38.867 where: short stacking energy: -22.969 Base-Backbone interact. energy: -0.121 local terms energy: -50.071624 where: bonds (distance) C4'-P energy: -11.642 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -12.314 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -4.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -70.040218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.040218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.040218 (E_RNA) where: Base-Base interactions energy: -22.717 where: short stacking energy: -20.777 Base-Backbone interact. energy: -0.047 local terms energy: -47.276740 where: bonds (distance) C4'-P energy: -15.315 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -8.049 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: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -186.473251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.473251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.473251 (E_RNA) where: Base-Base interactions energy: -109.923 where: short stacking energy: -51.722 Base-Backbone interact. energy: -0.697 local terms energy: -75.852555 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -15.441 flat angles C4'-P-C4' energy: -15.927 flat angles P-C4'-P energy: -11.188 tors. eta vs tors. theta energy: -18.331 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: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -180.025290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.025290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.025290 (E_RNA) where: Base-Base interactions energy: -109.164 where: short stacking energy: -53.964 Base-Backbone interact. energy: -0.002 local terms energy: -70.859225 where: bonds (distance) C4'-P energy: -13.893 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -10.624 tors. eta vs tors. theta energy: -16.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -170.362119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.362119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.362119 (E_RNA) where: Base-Base interactions energy: -103.709 where: short stacking energy: -57.991 Base-Backbone interact. energy: -0.047 local terms energy: -66.605729 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -16.107 flat angles C4'-P-C4' energy: -13.718 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -14.007 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: 4, replica: 2 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -163.723721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.723721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.723721 (E_RNA) where: Base-Base interactions energy: -106.395 where: short stacking energy: -38.564 Base-Backbone interact. energy: -1.290 local terms energy: -56.038849 where: bonds (distance) C4'-P energy: -11.787 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -14.183 flat angles P-C4'-P energy: -9.397 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: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -150.627894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.627894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.627894 (E_RNA) where: Base-Base interactions energy: -87.959 where: short stacking energy: -49.014 Base-Backbone interact. energy: -0.114 local terms energy: -62.554815 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -15.901 flat angles C4'-P-C4' energy: -13.900 flat angles P-C4'-P energy: -9.788 tors. eta vs tors. theta energy: -13.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -90.870956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.870956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.870956 (E_RNA) where: Base-Base interactions energy: -36.843 where: short stacking energy: -36.843 Base-Backbone interact. energy: -0.000 local terms energy: -54.027782 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -10.337 flat angles P-C4'-P energy: -2.175 tors. eta vs tors. theta energy: -11.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -123.252118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.252118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.252118 (E_RNA) where: Base-Base interactions energy: -73.499 where: short stacking energy: -40.974 Base-Backbone interact. energy: -0.018 local terms energy: -49.735230 where: bonds (distance) C4'-P energy: -10.694 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -8.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -76.121694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.121694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.121694 (E_RNA) where: Base-Base interactions energy: -25.831 where: short stacking energy: -25.831 Base-Backbone interact. energy: -0.090 local terms energy: -50.200815 where: bonds (distance) C4'-P energy: -13.517 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -11.321 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -69.668402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.668402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.668402 (E_RNA) where: Base-Base interactions energy: -30.026 where: short stacking energy: -30.026 Base-Backbone interact. energy: -0.113 local terms energy: -39.529087 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -9.698 flat angles C4'-P-C4' energy: -13.880 flat angles P-C4'-P energy: -5.266 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: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -72.229403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.229403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.229403 (E_RNA) where: Base-Base interactions energy: -31.346 where: short stacking energy: -24.022 Base-Backbone interact. energy: -0.174 local terms energy: -40.709480 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -10.857 flat angles C4'-P-C4' energy: -10.158 flat angles P-C4'-P energy: -8.834 tors. eta vs tors. theta energy: -1.685 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: 1, replica: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -188.577693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.577693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.577693 (E_RNA) where: Base-Base interactions energy: -115.846 where: short stacking energy: -61.467 Base-Backbone interact. energy: -0.625 local terms energy: -72.106454 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -15.740 flat angles C4'-P-C4' energy: -11.995 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -20.992 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: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -174.549983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.549983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.549983 (E_RNA) where: Base-Base interactions energy: -103.676 where: short stacking energy: -46.287 Base-Backbone interact. energy: -0.145 local terms energy: -70.728353 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -15.414 flat angles C4'-P-C4' energy: -16.748 flat angles P-C4'-P energy: -11.317 tors. eta vs tors. theta energy: -13.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -172.731748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.731748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.731748 (E_RNA) where: Base-Base interactions energy: -102.001 where: short stacking energy: -58.737 Base-Backbone interact. energy: -0.315 local terms energy: -70.415562 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -12.754 flat angles C4'-P-C4' energy: -15.282 flat angles P-C4'-P energy: -11.168 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: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -144.911907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.911907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.911907 (E_RNA) where: Base-Base interactions energy: -81.956 where: short stacking energy: -43.781 Base-Backbone interact. energy: -1.182 local terms energy: -61.773238 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -13.021 flat angles P-C4'-P energy: -8.507 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: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -172.734990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.734990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.734990 (E_RNA) where: Base-Base interactions energy: -113.388 where: short stacking energy: -48.833 Base-Backbone interact. energy: 0.301 local terms energy: -59.648312 where: bonds (distance) C4'-P energy: -10.991 bonds (distance) P-C4' energy: -15.868 flat angles C4'-P-C4' energy: -10.140 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: -13.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -131.086177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.086177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.086177 (E_RNA) where: Base-Base interactions energy: -79.132 where: short stacking energy: -38.212 Base-Backbone interact. energy: -0.252 local terms energy: -51.702338 where: bonds (distance) C4'-P energy: -16.105 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -15.583 flat angles P-C4'-P energy: -0.668 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: 7, replica: 1 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -87.831416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.831416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.831416 (E_RNA) where: Base-Base interactions energy: -34.858 where: short stacking energy: -30.538 Base-Backbone interact. energy: -0.485 local terms energy: -52.488779 where: bonds (distance) C4'-P energy: -13.733 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -7.003 tors. eta vs tors. theta energy: -12.834 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: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -70.694431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.694431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.694431 (E_RNA) where: Base-Base interactions energy: -24.490 where: short stacking energy: -19.307 Base-Backbone interact. energy: -0.084 local terms energy: -46.120918 where: bonds (distance) C4'-P energy: -12.780 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -10.666 flat angles P-C4'-P energy: -10.852 tors. eta vs tors. theta energy: 4.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -70.124633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.124633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.124633 (E_RNA) where: Base-Base interactions energy: -26.706 where: short stacking energy: -26.559 Base-Backbone interact. energy: -0.396 local terms energy: -43.022747 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -8.915 flat angles P-C4'-P energy: -3.195 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -70.934302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.934302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.934302 (E_RNA) where: Base-Base interactions energy: -24.217 where: short stacking energy: -24.217 Base-Backbone interact. energy: -0.077 local terms energy: -46.639746 where: bonds (distance) C4'-P energy: -13.483 bonds (distance) P-C4' energy: -9.498 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -7.217 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -177.472964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.472964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.472964 (E_RNA) where: Base-Base interactions energy: -107.378 where: short stacking energy: -51.139 Base-Backbone interact. energy: -1.919 local terms energy: -68.175564 where: bonds (distance) C4'-P energy: -15.394 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -13.511 flat angles P-C4'-P energy: -9.907 tors. eta vs tors. theta energy: -13.415 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: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -177.099393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.099393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.099393 (E_RNA) where: Base-Base interactions energy: -104.484 where: short stacking energy: -52.325 Base-Backbone interact. energy: -0.866 local terms energy: -71.749393 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -11.443 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: 3, replica: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -168.009794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.009794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.009794 (E_RNA) where: Base-Base interactions energy: -105.166 where: short stacking energy: -47.973 Base-Backbone interact. energy: -0.796 local terms energy: -62.048262 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -12.457 flat angles P-C4'-P energy: -10.535 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: 208 Temperature: 1.050000 Total energy: -149.739129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.739129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.739129 (E_RNA) where: Base-Base interactions energy: -90.335 where: short stacking energy: -49.280 Base-Backbone interact. energy: -0.153 local terms energy: -59.251013 where: bonds (distance) C4'-P energy: -11.865 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -11.517 flat angles P-C4'-P energy: -7.995 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: 5, replica: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -165.635067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.635067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.635067 (E_RNA) where: Base-Base interactions energy: -110.767 where: short stacking energy: -56.155 Base-Backbone interact. energy: 0.024 local terms energy: -54.892325 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -13.230 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -10.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -130.719715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.719715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.719715 (E_RNA) where: Base-Base interactions energy: -77.302 where: short stacking energy: -44.480 Base-Backbone interact. energy: -0.105 local terms energy: -53.312050 where: bonds (distance) C4'-P energy: -11.086 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -8.605 tors. eta vs tors. theta energy: -4.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -82.929362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.929362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.929362 (E_RNA) where: Base-Base interactions energy: -38.419 where: short stacking energy: -35.348 Base-Backbone interact. energy: -0.003 local terms energy: -44.507628 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -9.451 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -9.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -97.878393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.878393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.878393 (E_RNA) where: Base-Base interactions energy: -59.316 where: short stacking energy: -22.620 Base-Backbone interact. energy: 0.347 local terms energy: -38.909511 where: bonds (distance) C4'-P energy: -10.065 bonds (distance) P-C4' energy: -12.044 flat angles C4'-P-C4' energy: -12.568 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -73.221061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.221061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.221061 (E_RNA) where: Base-Base interactions energy: -25.877 where: short stacking energy: -15.285 Base-Backbone interact. energy: -0.099 local terms energy: -47.244713 where: bonds (distance) C4'-P energy: -10.586 bonds (distance) P-C4' energy: -15.695 flat angles C4'-P-C4' energy: -15.594 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: 0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -63.661089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.661089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.661089 (E_RNA) where: Base-Base interactions energy: -19.488 where: short stacking energy: -12.414 Base-Backbone interact. energy: -0.167 local terms energy: -44.005513 where: bonds (distance) C4'-P energy: -11.195 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -7.378 tors. eta vs tors. theta energy: -1.268 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: 7 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -178.131689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.131689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.131689 (E_RNA) where: Base-Base interactions energy: -114.133 where: short stacking energy: -47.416 Base-Backbone interact. energy: -0.880 local terms energy: -63.117868 where: bonds (distance) C4'-P energy: -12.189 bonds (distance) P-C4' energy: -13.754 flat angles C4'-P-C4' energy: -14.306 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -13.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -183.253578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.253578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.253578 (E_RNA) where: Base-Base interactions energy: -117.195 where: short stacking energy: -58.005 Base-Backbone interact. energy: -0.415 local terms energy: -65.643117 where: bonds (distance) C4'-P energy: -10.047 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -13.504 flat angles P-C4'-P energy: -11.954 tors. eta vs tors. theta energy: -14.643 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: 209 Temperature: 1.000000 Total energy: -159.813917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.813917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.813917 (E_RNA) where: Base-Base interactions energy: -96.285 where: short stacking energy: -45.118 Base-Backbone interact. energy: -0.100 local terms energy: -63.429124 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -6.428 tors. eta vs tors. theta energy: -11.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -154.374855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.374855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.374855 (E_RNA) where: Base-Base interactions energy: -98.592 where: short stacking energy: -38.625 Base-Backbone interact. energy: -0.157 local terms energy: -55.625463 where: bonds (distance) C4'-P energy: -14.081 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -12.513 flat angles P-C4'-P energy: -9.088 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: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -145.292155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.292155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.292155 (E_RNA) where: Base-Base interactions energy: -87.283 where: short stacking energy: -51.921 Base-Backbone interact. energy: -0.002 local terms energy: -58.007621 where: bonds (distance) C4'-P energy: -10.354 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -10.672 flat angles P-C4'-P energy: -7.933 tors. eta vs tors. theta energy: -15.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -132.656645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.656645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.656645 (E_RNA) where: Base-Base interactions energy: -82.817 where: short stacking energy: -44.421 Base-Backbone interact. energy: -0.566 local terms energy: -49.272756 where: bonds (distance) C4'-P energy: -9.421 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -7.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -85.950003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.950003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.950003 (E_RNA) where: Base-Base interactions energy: -41.837 where: short stacking energy: -38.833 Base-Backbone interact. energy: -0.028 local terms energy: -44.084671 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -8.363 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -6.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -72.627461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.627461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.627461 (E_RNA) where: Base-Base interactions energy: -36.249 where: short stacking energy: -20.269 Base-Backbone interact. energy: -0.147 local terms energy: -36.232060 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -10.147 flat angles C4'-P-C4' energy: -10.787 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -79.115412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.115412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.115412 (E_RNA) where: Base-Base interactions energy: -29.730 where: short stacking energy: -29.597 Base-Backbone interact. energy: -0.038 local terms energy: -49.347469 where: bonds (distance) C4'-P energy: -11.853 bonds (distance) P-C4' energy: -9.388 flat angles C4'-P-C4' energy: -15.281 flat angles P-C4'-P energy: -7.785 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -74.304946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.304946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.304946 (E_RNA) where: Base-Base interactions energy: -21.379 where: short stacking energy: -16.995 Base-Backbone interact. energy: -0.310 local terms energy: -52.615330 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -10.944 flat angles P-C4'-P energy: -11.283 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: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -177.370298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.370298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.370298 (E_RNA) where: Base-Base interactions energy: -112.483 where: short stacking energy: -51.849 Base-Backbone interact. energy: -0.532 local terms energy: -64.355922 where: bonds (distance) C4'-P energy: -13.717 bonds (distance) P-C4' energy: -12.799 flat angles C4'-P-C4' energy: -15.585 flat angles P-C4'-P energy: -12.756 tors. eta vs tors. theta energy: -9.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -170.276515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.276515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.276515 (E_RNA) where: Base-Base interactions energy: -110.608 where: short stacking energy: -49.622 Base-Backbone interact. energy: -0.130 local terms energy: -59.537819 where: bonds (distance) C4'-P energy: -11.294 bonds (distance) P-C4' energy: -15.840 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -5.614 tors. eta vs tors. theta energy: -12.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -165.192566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.192566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.192566 (E_RNA) where: Base-Base interactions energy: -105.603 where: short stacking energy: -46.754 Base-Backbone interact. energy: -0.373 local terms energy: -59.216421 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -10.065 flat angles P-C4'-P energy: -7.184 tors. eta vs tors. theta energy: -12.123 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: 2 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -159.979676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.979676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.979676 (E_RNA) where: Base-Base interactions energy: -103.947 where: short stacking energy: -44.718 Base-Backbone interact. energy: -0.620 local terms energy: -55.413061 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -10.526 flat angles C4'-P-C4' energy: -13.794 flat angles P-C4'-P energy: -8.857 tors. eta vs tors. theta energy: -9.939 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: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -140.764103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.764103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.764103 (E_RNA) where: Base-Base interactions energy: -81.887 where: short stacking energy: -44.285 Base-Backbone interact. energy: -0.150 local terms energy: -58.726749 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -10.288 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -8.965 tors. eta vs tors. theta energy: -12.664 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: 5 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -118.959922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.959922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.959922 (E_RNA) where: Base-Base interactions energy: -73.324 where: short stacking energy: -32.318 Base-Backbone interact. energy: 0.487 local terms energy: -46.122828 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -10.735 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -7.183 tors. eta vs tors. theta energy: -4.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -87.133080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.133080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.133080 (E_RNA) where: Base-Base interactions energy: -37.142 where: short stacking energy: -33.326 Base-Backbone interact. energy: -0.004 local terms energy: -49.987520 where: bonds (distance) C4'-P energy: -14.469 bonds (distance) P-C4' energy: -9.367 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -10.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -79.502618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.502618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.502618 (E_RNA) where: Base-Base interactions energy: -27.639 where: short stacking energy: -25.131 Base-Backbone interact. energy: -0.350 local terms energy: -51.513814 where: bonds (distance) C4'-P energy: -12.523 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -7.380 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: 9, replica: 10 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -81.917117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.917117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.917117 (E_RNA) where: Base-Base interactions energy: -36.529 where: short stacking energy: -18.335 Base-Backbone interact. energy: -0.420 local terms energy: -44.968585 where: bonds (distance) C4'-P energy: -8.898 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -12.271 flat angles P-C4'-P energy: -6.557 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: 6 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -66.079988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.079988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.079988 (E_RNA) where: Base-Base interactions energy: -20.012 where: short stacking energy: -19.431 Base-Backbone interact. energy: -0.178 local terms energy: -45.890051 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -12.375 flat angles P-C4'-P energy: -10.826 tors. eta vs tors. theta energy: -1.357 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: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -182.810579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.810579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.810579 (E_RNA) where: Base-Base interactions energy: -112.542 where: short stacking energy: -58.170 Base-Backbone interact. energy: 1.311 local terms energy: -71.579309 where: bonds (distance) C4'-P energy: -16.283 bonds (distance) P-C4' energy: -12.006 flat angles C4'-P-C4' energy: -13.694 flat angles P-C4'-P energy: -10.383 tors. eta vs tors. theta energy: -19.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -166.409531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.409531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.409531 (E_RNA) where: Base-Base interactions energy: -103.055 where: short stacking energy: -42.575 Base-Backbone interact. energy: -0.433 local terms energy: -62.920979 where: bonds (distance) C4'-P energy: -14.710 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -12.673 flat angles P-C4'-P energy: -9.237 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: 3, replica: 7 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -160.736130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.736130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.736130 (E_RNA) where: Base-Base interactions energy: -94.681 where: short stacking energy: -51.459 Base-Backbone interact. energy: 0.453 local terms energy: -66.507929 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -15.157 flat angles C4'-P-C4' energy: -15.814 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -14.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -160.957136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.957136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.957136 (E_RNA) where: Base-Base interactions energy: -101.570 where: short stacking energy: -48.632 Base-Backbone interact. energy: 1.575 local terms energy: -60.961574 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -9.387 flat angles C4'-P-C4' energy: -14.815 flat angles P-C4'-P energy: -11.733 tors. eta vs tors. theta energy: -11.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -132.102733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.102733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.102733 (E_RNA) where: Base-Base interactions energy: -76.989 where: short stacking energy: -43.130 Base-Backbone interact. energy: -0.078 local terms energy: -55.035577 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -15.205 flat angles C4'-P-C4' energy: -10.950 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -10.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -83.353184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.353184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.353184 (E_RNA) where: Base-Base interactions energy: -39.858 where: short stacking energy: -16.378 Base-Backbone interact. energy: -0.082 local terms energy: -43.413236 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -9.073 tors. eta vs tors. theta energy: 0.706 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: 211 Temperature: 1.200000 Total energy: -118.664648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.664648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.664648 (E_RNA) where: Base-Base interactions energy: -70.534 where: short stacking energy: -39.137 Base-Backbone interact. energy: -0.072 local terms energy: -48.058547 where: bonds (distance) C4'-P energy: -9.530 bonds (distance) P-C4' energy: -11.692 flat angles C4'-P-C4' energy: -10.815 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -6.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -88.515915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.515915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.515915 (E_RNA) where: Base-Base interactions energy: -43.258 where: short stacking energy: -34.669 Base-Backbone interact. energy: -0.097 local terms energy: -45.160100 where: bonds (distance) C4'-P energy: -10.018 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -9.640 flat angles P-C4'-P energy: -9.646 tors. eta vs tors. theta energy: -1.697 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: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -78.180396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.180396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.180396 (E_RNA) where: Base-Base interactions energy: -31.659 where: short stacking energy: -28.299 Base-Backbone interact. energy: -0.624 local terms energy: -45.897136 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -12.645 flat angles C4'-P-C4' energy: -12.578 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -69.548515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.548515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.548515 (E_RNA) where: Base-Base interactions energy: -28.143 where: short stacking energy: -30.360 Base-Backbone interact. energy: -0.870 local terms energy: -40.536181 where: bonds (distance) C4'-P energy: -16.175 bonds (distance) P-C4' energy: -10.805 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: 5.759 tors. eta vs tors. theta energy: -6.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -190.338114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.338114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.338114 (E_RNA) where: Base-Base interactions energy: -117.855 where: short stacking energy: -60.584 Base-Backbone interact. energy: -0.753 local terms energy: -71.729687 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -14.994 flat angles P-C4'-P energy: -9.454 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: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -184.862404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.862404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.862404 (E_RNA) where: Base-Base interactions energy: -120.322 where: short stacking energy: -58.517 Base-Backbone interact. energy: -1.006 local terms energy: -63.534462 where: bonds (distance) C4'-P energy: -11.326 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -10.209 flat angles P-C4'-P energy: -10.053 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: 3, replica: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -170.977087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.977087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.977087 (E_RNA) where: Base-Base interactions energy: -99.113 where: short stacking energy: -48.143 Base-Backbone interact. energy: -0.284 local terms energy: -71.580471 where: bonds (distance) C4'-P energy: -15.903 bonds (distance) P-C4' energy: -15.819 flat angles C4'-P-C4' energy: -15.800 flat angles P-C4'-P energy: -10.508 tors. eta vs tors. theta energy: -13.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -173.839911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.839911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.839911 (E_RNA) where: Base-Base interactions energy: -107.796 where: short stacking energy: -49.223 Base-Backbone interact. energy: 0.143 local terms energy: -66.186227 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -13.101 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -11.744 tors. eta vs tors. theta energy: -14.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -100.250796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.250796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.250796 (E_RNA) where: Base-Base interactions energy: -57.442 where: short stacking energy: -28.489 Base-Backbone interact. energy: 0.745 local terms energy: -43.553062 where: bonds (distance) C4'-P energy: -15.517 bonds (distance) P-C4' energy: -10.703 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -2.103 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -147.766143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.766143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.766143 (E_RNA) where: Base-Base interactions energy: -90.005 where: short stacking energy: -56.197 Base-Backbone interact. energy: -0.191 local terms energy: -57.570003 where: bonds (distance) C4'-P energy: -11.675 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -12.239 flat angles P-C4'-P energy: -5.516 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: 7, replica: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -92.226360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.226360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.226360 (E_RNA) where: Base-Base interactions energy: -49.043 where: short stacking energy: -33.059 Base-Backbone interact. energy: 1.052 local terms energy: -44.235222 where: bonds (distance) C4'-P energy: -11.473 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -10.128 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -84.588435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.588435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.588435 (E_RNA) where: Base-Base interactions energy: -46.271 where: short stacking energy: -22.876 Base-Backbone interact. energy: 0.231 local terms energy: -38.548435 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -5.911 flat angles C4'-P-C4' energy: -10.810 flat angles P-C4'-P energy: -8.190 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: 9, replica: 6 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -83.742368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.742368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.742368 (E_RNA) where: Base-Base interactions energy: -33.670 where: short stacking energy: -33.216 Base-Backbone interact. energy: -0.136 local terms energy: -49.937005 where: bonds (distance) C4'-P energy: -11.608 bonds (distance) P-C4' energy: -15.393 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -8.934 tors. eta vs tors. theta energy: -6.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -84.640750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.640750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.640750 (E_RNA) where: Base-Base interactions energy: -43.506 where: short stacking energy: -22.495 Base-Backbone interact. energy: -0.156 local terms energy: -40.978315 where: bonds (distance) C4'-P energy: -9.265 bonds (distance) P-C4' energy: -11.229 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -188.742926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.742926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.742926 (E_RNA) where: Base-Base interactions energy: -116.222 where: short stacking energy: -63.202 Base-Backbone interact. energy: -0.001 local terms energy: -72.519939 where: bonds (distance) C4'-P energy: -11.763 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -11.263 tors. eta vs tors. theta energy: -18.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -169.583389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.583389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.583389 (E_RNA) where: Base-Base interactions energy: -102.601 where: short stacking energy: -53.202 Base-Backbone interact. energy: -0.015 local terms energy: -66.967670 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -11.672 flat angles P-C4'-P energy: -8.551 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: 2 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -157.356329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.356329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.356329 (E_RNA) where: Base-Base interactions energy: -104.826 where: short stacking energy: -46.408 Base-Backbone interact. energy: 0.670 local terms energy: -53.199909 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -10.080 flat angles P-C4'-P energy: -8.086 tors. eta vs tors. theta energy: -10.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -166.032420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.032420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.032420 (E_RNA) where: Base-Base interactions energy: -95.871 where: short stacking energy: -47.713 Base-Backbone interact. energy: -0.619 local terms energy: -69.542964 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -12.523 tors. eta vs tors. theta energy: -14.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -136.229550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.229550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.229550 (E_RNA) where: Base-Base interactions energy: -77.961 where: short stacking energy: -41.886 Base-Backbone interact. energy: -0.211 local terms energy: -58.058259 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -12.829 flat angles C4'-P-C4' energy: -11.667 flat angles P-C4'-P energy: -11.961 tors. eta vs tors. theta energy: -10.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -116.510843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.510843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.510843 (E_RNA) where: Base-Base interactions energy: -62.706 where: short stacking energy: -36.751 Base-Backbone interact. energy: -0.055 local terms energy: -53.749877 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -9.452 flat angles P-C4'-P energy: -9.168 tors. eta vs tors. theta energy: -9.488 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: 10 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -75.528031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.528031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.528031 (E_RNA) where: Base-Base interactions energy: -26.333 where: short stacking energy: -26.333 Base-Backbone interact. energy: -0.249 local terms energy: -48.945683 where: bonds (distance) C4'-P energy: -15.707 bonds (distance) P-C4' energy: -16.346 flat angles C4'-P-C4' energy: -10.926 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -78.658288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.658288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.658288 (E_RNA) where: Base-Base interactions energy: -30.283 where: short stacking energy: -28.524 Base-Backbone interact. energy: -0.205 local terms energy: -48.169909 where: bonds (distance) C4'-P energy: -11.096 bonds (distance) P-C4' energy: -14.218 flat angles C4'-P-C4' energy: -11.378 flat angles P-C4'-P energy: -5.234 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: 9, replica: 6 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -81.303879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.303879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.303879 (E_RNA) where: Base-Base interactions energy: -34.924 where: short stacking energy: -34.924 Base-Backbone interact. energy: -0.001 local terms energy: -46.378203 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -5.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -65.987223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.987223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.987223 (E_RNA) where: Base-Base interactions energy: -19.401 where: short stacking energy: -13.538 Base-Backbone interact. energy: -0.191 local terms energy: -46.395200 where: bonds (distance) C4'-P energy: -10.209 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -13.372 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: 0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -188.571678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.571678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.571678 (E_RNA) where: Base-Base interactions energy: -116.780 where: short stacking energy: -61.350 Base-Backbone interact. energy: -0.224 local terms energy: -71.567446 where: bonds (distance) C4'-P energy: -15.128 bonds (distance) P-C4' energy: -11.493 flat angles C4'-P-C4' energy: -15.318 flat angles P-C4'-P energy: -11.664 tors. eta vs tors. theta energy: -17.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -165.685163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.685163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.685163 (E_RNA) where: Base-Base interactions energy: -103.146 where: short stacking energy: -50.582 Base-Backbone interact. energy: -0.298 local terms energy: -62.241038 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -16.358 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -7.424 tors. eta vs tors. theta energy: -12.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -167.993000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.993000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.993000 (E_RNA) where: Base-Base interactions energy: -99.892 where: short stacking energy: -53.090 Base-Backbone interact. energy: -0.413 local terms energy: -67.688069 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -16.230 flat angles P-C4'-P energy: -7.075 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: 4, replica: 2 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -165.331622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.331622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.331622 (E_RNA) where: Base-Base interactions energy: -101.612 where: short stacking energy: -50.135 Base-Backbone interact. energy: -0.941 local terms energy: -62.778423 where: bonds (distance) C4'-P energy: -11.306 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -9.564 tors. eta vs tors. theta energy: -13.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -112.652038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.652038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.652038 (E_RNA) where: Base-Base interactions energy: -65.709 where: short stacking energy: -37.608 Base-Backbone interact. energy: -0.134 local terms energy: -46.809643 where: bonds (distance) C4'-P energy: -9.791 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -8.988 flat angles P-C4'-P energy: -6.905 tors. eta vs tors. theta energy: -7.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -141.793115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.793115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.793115 (E_RNA) where: Base-Base interactions energy: -81.947 where: short stacking energy: -39.550 Base-Backbone interact. energy: -1.292 local terms energy: -58.554038 where: bonds (distance) C4'-P energy: -11.183 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -8.393 tors. eta vs tors. theta energy: -9.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -81.340146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.340146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.340146 (E_RNA) where: Base-Base interactions energy: -42.938 where: short stacking energy: -24.289 Base-Backbone interact. energy: 0.723 local terms energy: -39.125134 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -3.224 tors. eta vs tors. theta energy: 0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -80.367628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.367628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.367628 (E_RNA) where: Base-Base interactions energy: -31.341 where: short stacking energy: -15.874 Base-Backbone interact. energy: -0.338 local terms energy: -48.689169 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -10.531 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -1.109 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: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -86.834859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.834859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.834859 (E_RNA) where: Base-Base interactions energy: -32.960 where: short stacking energy: -25.115 Base-Backbone interact. energy: -0.177 local terms energy: -53.697358 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -14.203 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -8.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -68.535151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.535151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.535151 (E_RNA) where: Base-Base interactions energy: -26.122 where: short stacking energy: -26.122 Base-Backbone interact. energy: -0.046 local terms energy: -42.367672 where: bonds (distance) C4'-P energy: -12.504 bonds (distance) P-C4' energy: -11.709 flat angles C4'-P-C4' energy: -14.400 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: 3.066 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: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -178.311683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.311683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.311683 (E_RNA) where: Base-Base interactions energy: -111.509 where: short stacking energy: -58.772 Base-Backbone interact. energy: -0.777 local terms energy: -66.025309 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -13.242 flat angles P-C4'-P energy: -8.995 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: 2, replica: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -165.154092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.154092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.154092 (E_RNA) where: Base-Base interactions energy: -102.669 where: short stacking energy: -56.159 Base-Backbone interact. energy: 0.156 local terms energy: -62.641754 where: bonds (distance) C4'-P energy: -10.970 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -12.489 flat angles P-C4'-P energy: -10.153 tors. eta vs tors. theta energy: -13.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -168.071689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.071689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.071689 (E_RNA) where: Base-Base interactions energy: -103.359 where: short stacking energy: -49.365 Base-Backbone interact. energy: -0.006 local terms energy: -64.707557 where: bonds (distance) C4'-P energy: -11.410 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -12.718 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -15.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -159.260569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.260569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.260569 (E_RNA) where: Base-Base interactions energy: -99.033 where: short stacking energy: -43.625 Base-Backbone interact. energy: -0.159 local terms energy: -60.068124 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -9.978 flat angles C4'-P-C4' energy: -15.306 flat angles P-C4'-P energy: -8.794 tors. eta vs tors. theta energy: -12.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -114.088747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.088747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.088747 (E_RNA) where: Base-Base interactions energy: -55.103 where: short stacking energy: -41.299 Base-Backbone interact. energy: -0.165 local terms energy: -58.821090 where: bonds (distance) C4'-P energy: -15.061 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: -13.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -136.619441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.619441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.619441 (E_RNA) where: Base-Base interactions energy: -82.304 where: short stacking energy: -37.408 Base-Backbone interact. energy: -0.058 local terms energy: -54.257387 where: bonds (distance) C4'-P energy: -7.171 bonds (distance) P-C4' energy: -16.911 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -10.373 tors. eta vs tors. theta energy: -6.230 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: 10 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -78.427209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.427209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.427209 (E_RNA) where: Base-Base interactions energy: -33.856 where: short stacking energy: -31.444 Base-Backbone interact. energy: -0.022 local terms energy: -44.548802 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -15.124 flat angles C4'-P-C4' energy: -10.564 flat angles P-C4'-P energy: -2.733 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -94.622654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.622654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.622654 (E_RNA) where: Base-Base interactions energy: -39.344 where: short stacking energy: -24.971 Base-Backbone interact. energy: 2.340 local terms energy: -57.617927 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -7.430 tors. eta vs tors. theta energy: -7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -76.955419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.955419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.955419 (E_RNA) where: Base-Base interactions energy: -31.319 where: short stacking energy: -29.565 Base-Backbone interact. energy: 0.430 local terms energy: -46.065978 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -11.789 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -74.645857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.645857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.645857 (E_RNA) where: Base-Base interactions energy: -22.213 where: short stacking energy: -13.314 Base-Backbone interact. energy: -0.047 local terms energy: -52.385917 where: bonds (distance) C4'-P energy: -15.008 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -14.220 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -178.107155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.107155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.107155 (E_RNA) where: Base-Base interactions energy: -106.647 where: short stacking energy: -53.976 Base-Backbone interact. energy: -1.726 local terms energy: -69.733919 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -11.161 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: 2, replica: 3 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -176.788496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.788496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.788496 (E_RNA) where: Base-Base interactions energy: -112.833 where: short stacking energy: -55.549 Base-Backbone interact. energy: -0.354 local terms energy: -63.601597 where: bonds (distance) C4'-P energy: -14.586 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -18.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -169.243117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.243117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.243117 (E_RNA) where: Base-Base interactions energy: -111.076 where: short stacking energy: -58.303 Base-Backbone interact. energy: -0.037 local terms energy: -58.129830 where: bonds (distance) C4'-P energy: -10.492 bonds (distance) P-C4' energy: -11.457 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -7.274 tors. eta vs tors. theta energy: -14.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -174.045892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.045892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.045892 (E_RNA) where: Base-Base interactions energy: -107.393 where: short stacking energy: -53.638 Base-Backbone interact. energy: -0.453 local terms energy: -66.200501 where: bonds (distance) C4'-P energy: -14.155 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -10.844 tors. eta vs tors. theta energy: -15.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -148.012064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.012064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.012064 (E_RNA) where: Base-Base interactions energy: -98.793 where: short stacking energy: -40.607 Base-Backbone interact. energy: -0.312 local terms energy: -48.907259 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -11.188 flat angles C4'-P-C4' energy: -10.537 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -123.342594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.342594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.342594 (E_RNA) where: Base-Base interactions energy: -74.199 where: short stacking energy: -33.674 Base-Backbone interact. energy: 0.457 local terms energy: -49.600203 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -12.255 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -7.697 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: 7, replica: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -94.812579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.812579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.812579 (E_RNA) where: Base-Base interactions energy: -52.345 where: short stacking energy: -27.465 Base-Backbone interact. energy: -0.096 local terms energy: -42.371475 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -10.596 flat angles P-C4'-P energy: -4.703 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: 8, replica: 10 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -65.015129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.015129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.015129 (E_RNA) where: Base-Base interactions energy: -26.235 where: short stacking energy: -14.710 Base-Backbone interact. energy: -0.052 local terms energy: -38.727775 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -10.137 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: 2.289 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: 6 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -78.736200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.736200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.736200 (E_RNA) where: Base-Base interactions energy: -31.038 where: short stacking energy: -24.094 Base-Backbone interact. energy: -0.202 local terms energy: -47.495656 where: bonds (distance) C4'-P energy: -12.338 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -6.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -65.525054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.525054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.525054 (E_RNA) where: Base-Base interactions energy: -27.880 where: short stacking energy: -25.317 Base-Backbone interact. energy: -0.110 local terms energy: -37.535100 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -10.739 flat angles P-C4'-P energy: -3.740 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: 1, replica: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -183.009097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.009097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.009097 (E_RNA) where: Base-Base interactions energy: -115.707 where: short stacking energy: -50.277 Base-Backbone interact. energy: 1.089 local terms energy: -68.390657 where: bonds (distance) C4'-P energy: -11.455 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -14.837 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -16.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -167.226100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.226100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.226100 (E_RNA) where: Base-Base interactions energy: -104.876 where: short stacking energy: -54.629 Base-Backbone interact. energy: -0.172 local terms energy: -62.178287 where: bonds (distance) C4'-P energy: -10.234 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -13.088 flat angles P-C4'-P energy: -13.250 tors. eta vs tors. theta energy: -13.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -175.647336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.647336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.647336 (E_RNA) where: Base-Base interactions energy: -109.874 where: short stacking energy: -54.330 Base-Backbone interact. energy: -0.310 local terms energy: -65.463643 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -11.065 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: -17.437 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: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -152.833221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.833221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.833221 (E_RNA) where: Base-Base interactions energy: -104.542 where: short stacking energy: -46.027 Base-Backbone interact. energy: -0.462 local terms energy: -47.829571 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -10.629 flat angles C4'-P-C4' energy: -10.133 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -6.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -166.809954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.809954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.809954 (E_RNA) where: Base-Base interactions energy: -110.884 where: short stacking energy: -51.859 Base-Backbone interact. energy: -0.633 local terms energy: -55.293493 where: bonds (distance) C4'-P energy: -9.812 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -10.975 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -14.639 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: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -91.300684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.300684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.300684 (E_RNA) where: Base-Base interactions energy: -34.856 where: short stacking energy: -34.856 Base-Backbone interact. energy: -0.028 local terms energy: -56.415986 where: bonds (distance) C4'-P energy: -12.579 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -11.550 flat angles P-C4'-P energy: -11.053 tors. eta vs tors. theta energy: -7.301 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: 7, replica: 8 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -81.499242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.499242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.499242 (E_RNA) where: Base-Base interactions energy: -30.691 where: short stacking energy: -30.556 Base-Backbone interact. energy: -0.093 local terms energy: -50.716151 where: bonds (distance) C4'-P energy: -15.133 bonds (distance) P-C4' energy: -12.897 flat angles C4'-P-C4' energy: -12.366 flat angles P-C4'-P energy: -8.301 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -81.190025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.190025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.190025 (E_RNA) where: Base-Base interactions energy: -24.010 where: short stacking energy: -20.805 Base-Backbone interact. energy: -0.041 local terms energy: -57.139570 where: bonds (distance) C4'-P energy: -16.622 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -15.246 flat angles P-C4'-P energy: -7.243 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: 9, replica: 10 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -79.712896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.712896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.712896 (E_RNA) where: Base-Base interactions energy: -35.932 where: short stacking energy: -35.932 Base-Backbone interact. energy: -0.003 local terms energy: -43.778541 where: bonds (distance) C4'-P energy: -7.813 bonds (distance) P-C4' energy: -8.264 flat angles C4'-P-C4' energy: -15.411 flat angles P-C4'-P energy: -7.271 tors. eta vs tors. theta energy: -5.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -70.594225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.594225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.594225 (E_RNA) where: Base-Base interactions energy: -25.446 where: short stacking energy: -25.446 Base-Backbone interact. energy: -0.181 local terms energy: -44.967057 where: bonds (distance) C4'-P energy: -10.628 bonds (distance) P-C4' energy: -10.582 flat angles C4'-P-C4' energy: -10.593 flat angles P-C4'-P energy: -7.601 tors. eta vs tors. theta energy: -5.564 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: 218 Temperature: 0.900000 Total energy: -170.581001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.581001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.581001 (E_RNA) where: Base-Base interactions energy: -105.362 where: short stacking energy: -55.407 Base-Backbone interact. energy: -0.791 local terms energy: -64.427897 where: bonds (distance) C4'-P energy: -13.567 bonds (distance) P-C4' energy: -13.076 flat angles C4'-P-C4' energy: -12.065 flat angles P-C4'-P energy: -10.195 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: 2, replica: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -177.959655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.959655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.959655 (E_RNA) where: Base-Base interactions energy: -117.974 where: short stacking energy: -54.433 Base-Backbone interact. energy: -0.227 local terms energy: -59.758840 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -9.789 flat angles C4'-P-C4' energy: -15.404 flat angles P-C4'-P energy: -9.748 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: 3, replica: 3 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -167.245551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.245551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.245551 (E_RNA) where: Base-Base interactions energy: -98.661 where: short stacking energy: -57.070 Base-Backbone interact. energy: -0.529 local terms energy: -68.055879 where: bonds (distance) C4'-P energy: -10.304 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -15.115 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -19.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -142.279826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.279826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.279826 (E_RNA) where: Base-Base interactions energy: -82.164 where: short stacking energy: -44.096 Base-Backbone interact. energy: -0.008 local terms energy: -60.108111 where: bonds (distance) C4'-P energy: -13.182 bonds (distance) P-C4' energy: -16.086 flat angles C4'-P-C4' energy: -12.196 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -9.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -160.689768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.689768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.689768 (E_RNA) where: Base-Base interactions energy: -98.451 where: short stacking energy: -57.689 Base-Backbone interact. energy: -0.006 local terms energy: -62.231868 where: bonds (distance) C4'-P energy: -8.971 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -10.835 flat angles P-C4'-P energy: -11.377 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: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -109.433583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.433583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.433583 (E_RNA) where: Base-Base interactions energy: -62.237 where: short stacking energy: -26.893 Base-Backbone interact. energy: -0.305 local terms energy: -46.891539 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -6.518 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: 7, replica: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -90.872457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.872457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.872457 (E_RNA) where: Base-Base interactions energy: -42.915 where: short stacking energy: -26.585 Base-Backbone interact. energy: -0.087 local terms energy: -47.870384 where: bonds (distance) C4'-P energy: -11.940 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -8.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -76.609285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.609285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.609285 (E_RNA) where: Base-Base interactions energy: -28.665 where: short stacking energy: -28.665 Base-Backbone interact. energy: -0.100 local terms energy: -47.844145 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -9.506 flat angles P-C4'-P energy: -5.907 tors. eta vs tors. theta energy: -5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -81.403264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.403264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.403264 (E_RNA) where: Base-Base interactions energy: -33.321 where: short stacking energy: -33.321 Base-Backbone interact. energy: -0.200 local terms energy: -47.882449 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -12.178 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -7.310 tors. eta vs tors. theta energy: -4.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -73.412706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.412706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.412706 (E_RNA) where: Base-Base interactions energy: -36.470 where: short stacking energy: -28.438 Base-Backbone interact. energy: -0.118 local terms energy: -36.824134 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -6.011 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: 1, replica: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -170.949646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.949646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.949646 (E_RNA) where: Base-Base interactions energy: -103.087 where: short stacking energy: -54.976 Base-Backbone interact. energy: -0.868 local terms energy: -66.994434 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -10.287 tors. eta vs tors. theta energy: -14.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -177.655378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.655378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.655378 (E_RNA) where: Base-Base interactions energy: -110.644 where: short stacking energy: -61.365 Base-Backbone interact. energy: -0.280 local terms energy: -66.731526 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -11.639 tors. eta vs tors. theta energy: -14.982 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: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -184.193147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.193147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.193147 (E_RNA) where: Base-Base interactions energy: -112.468 where: short stacking energy: -58.209 Base-Backbone interact. energy: -0.007 local terms energy: -71.718678 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -15.014 flat angles P-C4'-P energy: -10.914 tors. eta vs tors. theta energy: -17.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -159.233548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.233548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.233548 (E_RNA) where: Base-Base interactions energy: -92.487 where: short stacking energy: -47.314 Base-Backbone interact. energy: -0.417 local terms energy: -66.328906 where: bonds (distance) C4'-P energy: -16.221 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -9.692 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: 5, replica: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -141.358572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.358572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.358572 (E_RNA) where: Base-Base interactions energy: -83.593 where: short stacking energy: -39.164 Base-Backbone interact. energy: 0.687 local terms energy: -58.452840 where: bonds (distance) C4'-P energy: -13.249 bonds (distance) P-C4' energy: -13.880 flat angles C4'-P-C4' energy: -14.639 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: -8.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -96.073571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.073571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.073571 (E_RNA) where: Base-Base interactions energy: -39.984 where: short stacking energy: -30.150 Base-Backbone interact. energy: 0.124 local terms energy: -56.213287 where: bonds (distance) C4'-P energy: -8.905 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -7.855 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: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -101.150516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.150516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.150516 (E_RNA) where: Base-Base interactions energy: -49.212 where: short stacking energy: -45.592 Base-Backbone interact. energy: -0.006 local terms energy: -51.932485 where: bonds (distance) C4'-P energy: -10.763 bonds (distance) P-C4' energy: -14.945 flat angles C4'-P-C4' energy: -9.849 flat angles P-C4'-P energy: -8.101 tors. eta vs tors. theta energy: -8.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -77.347058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.347058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.347058 (E_RNA) where: Base-Base interactions energy: -27.604 where: short stacking energy: -21.557 Base-Backbone interact. energy: 0.262 local terms energy: -50.005007 where: bonds (distance) C4'-P energy: -9.563 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -7.900 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: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -81.111321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.111321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.111321 (E_RNA) where: Base-Base interactions energy: -41.621 where: short stacking energy: -20.225 Base-Backbone interact. energy: -0.453 local terms energy: -39.037922 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -10.113 flat angles C4'-P-C4' energy: -8.790 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -76.964584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.964584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.964584 (E_RNA) where: Base-Base interactions energy: -24.536 where: short stacking energy: -24.536 Base-Backbone interact. energy: -0.169 local terms energy: -52.260156 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -10.232 flat angles P-C4'-P energy: -11.578 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -167.705428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.705428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.705428 (E_RNA) where: Base-Base interactions energy: -100.430 where: short stacking energy: -45.290 Base-Backbone interact. energy: -0.941 local terms energy: -66.334889 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -11.299 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: 2, replica: 2 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -169.737940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.737940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.737940 (E_RNA) where: Base-Base interactions energy: -100.804 where: short stacking energy: -57.806 Base-Backbone interact. energy: -0.159 local terms energy: -68.774189 where: bonds (distance) C4'-P energy: -11.119 bonds (distance) P-C4' energy: -17.383 flat angles C4'-P-C4' energy: -14.681 flat angles P-C4'-P energy: -10.525 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: 3, replica: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -163.890857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.890857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.890857 (E_RNA) where: Base-Base interactions energy: -106.939 where: short stacking energy: -43.174 Base-Backbone interact. energy: -0.663 local terms energy: -56.288561 where: bonds (distance) C4'-P energy: -9.473 bonds (distance) P-C4' energy: -10.242 flat angles C4'-P-C4' energy: -15.652 flat angles P-C4'-P energy: -10.747 tors. eta vs tors. theta energy: -10.176 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: 4, replica: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -159.494330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.494330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.494330 (E_RNA) where: Base-Base interactions energy: -100.324 where: short stacking energy: -50.667 Base-Backbone interact. energy: -0.603 local terms energy: -58.567421 where: bonds (distance) C4'-P energy: -10.111 bonds (distance) P-C4' energy: -9.839 flat angles C4'-P-C4' energy: -16.220 flat angles P-C4'-P energy: -10.211 tors. eta vs tors. theta energy: -12.186 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: 6 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -92.516068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.516068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.516068 (E_RNA) where: Base-Base interactions energy: -39.454 where: short stacking energy: -39.454 Base-Backbone interact. energy: 0.219 local terms energy: -53.280699 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -9.869 flat angles C4'-P-C4' energy: -11.743 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -8.990 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: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -133.106728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.106728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.106728 (E_RNA) where: Base-Base interactions energy: -77.401 where: short stacking energy: -47.250 Base-Backbone interact. energy: -0.001 local terms energy: -55.703863 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -10.010 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: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -90.736461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.736461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.736461 (E_RNA) where: Base-Base interactions energy: -43.775 where: short stacking energy: -28.303 Base-Backbone interact. energy: -0.117 local terms energy: -46.844633 where: bonds (distance) C4'-P energy: -14.606 bonds (distance) P-C4' energy: -9.461 flat angles C4'-P-C4' energy: -11.077 flat angles P-C4'-P energy: -7.624 tors. eta vs tors. theta energy: -4.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -75.789444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.789444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.789444 (E_RNA) where: Base-Base interactions energy: -35.752 where: short stacking energy: -20.952 Base-Backbone interact. energy: -0.248 local terms energy: -39.788708 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -13.235 flat angles C4'-P-C4' energy: -9.427 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: 1.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -75.009930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.009930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.009930 (E_RNA) where: Base-Base interactions energy: -28.126 where: short stacking energy: -27.040 Base-Backbone interact. energy: -0.235 local terms energy: -46.648563 where: bonds (distance) C4'-P energy: -14.163 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: 0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -68.566511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.566511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.566511 (E_RNA) where: Base-Base interactions energy: -19.967 where: short stacking energy: -15.937 Base-Backbone interact. energy: -0.335 local terms energy: -48.264841 where: bonds (distance) C4'-P energy: -10.296 bonds (distance) P-C4' energy: -13.316 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -3.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -172.666679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.666679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.666679 (E_RNA) where: Base-Base interactions energy: -102.159 where: short stacking energy: -61.311 Base-Backbone interact. energy: -1.076 local terms energy: -69.431607 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -16.110 flat angles C4'-P-C4' energy: -15.153 flat angles P-C4'-P energy: -11.670 tors. eta vs tors. theta energy: -14.150 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: 221 Temperature: 0.950000 Total energy: -183.588341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.588341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.588341 (E_RNA) where: Base-Base interactions energy: -126.197 where: short stacking energy: -57.901 Base-Backbone interact. energy: -1.424 local terms energy: -55.967079 where: bonds (distance) C4'-P energy: -11.555 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -12.165 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: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -172.763318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.763318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.763318 (E_RNA) where: Base-Base interactions energy: -116.672 where: short stacking energy: -46.805 Base-Backbone interact. energy: -0.779 local terms energy: -55.311950 where: bonds (distance) C4'-P energy: -14.601 bonds (distance) P-C4' energy: -8.743 flat angles C4'-P-C4' energy: -14.826 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -8.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -157.859282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.859282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.859282 (E_RNA) where: Base-Base interactions energy: -100.869 where: short stacking energy: -47.581 Base-Backbone interact. energy: 0.926 local terms energy: -57.916815 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -7.840 tors. eta vs tors. theta energy: -11.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -114.982158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.982158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.982158 (E_RNA) where: Base-Base interactions energy: -61.912 where: short stacking energy: -46.561 Base-Backbone interact. energy: -0.347 local terms energy: -52.723631 where: bonds (distance) C4'-P energy: -7.234 bonds (distance) P-C4' energy: -11.402 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -9.200 tors. eta vs tors. theta energy: -11.020 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: 6, replica: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -131.355985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.355985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.355985 (E_RNA) where: Base-Base interactions energy: -81.605 where: short stacking energy: -31.595 Base-Backbone interact. energy: -0.614 local terms energy: -49.137277 where: bonds (distance) C4'-P energy: -15.084 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -9.494 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -7.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -95.271131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.271131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.271131 (E_RNA) where: Base-Base interactions energy: -48.377 where: short stacking energy: -23.795 Base-Backbone interact. energy: 0.639 local terms energy: -47.532930 where: bonds (distance) C4'-P energy: -12.296 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -6.256 tors. eta vs tors. theta energy: -2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -79.767990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.767990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.767990 (E_RNA) where: Base-Base interactions energy: -28.674 where: short stacking energy: -28.674 Base-Backbone interact. energy: 0.230 local terms energy: -51.323906 where: bonds (distance) C4'-P energy: -13.691 bonds (distance) P-C4' energy: -14.331 flat angles C4'-P-C4' energy: -11.199 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -5.341 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: 10 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -69.345708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.345708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.345708 (E_RNA) where: Base-Base interactions energy: -22.341 where: short stacking energy: -22.226 Base-Backbone interact. energy: -0.053 local terms energy: -46.952462 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -12.520 flat angles C4'-P-C4' energy: -14.075 flat angles P-C4'-P energy: -6.301 tors. eta vs tors. theta energy: -1.798 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: 10, replica: 8 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -74.941385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.941385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.941385 (E_RNA) where: Base-Base interactions energy: -35.719 where: short stacking energy: -12.167 Base-Backbone interact. energy: -0.450 local terms energy: -38.772564 where: bonds (distance) C4'-P energy: -11.150 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -7.741 tors. eta vs tors. theta energy: -1.044 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: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -173.699873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.699873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.699873 (E_RNA) where: Base-Base interactions energy: -101.421 where: short stacking energy: -56.143 Base-Backbone interact. energy: -0.433 local terms energy: -71.845806 where: bonds (distance) C4'-P energy: -13.725 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -14.170 flat angles P-C4'-P energy: -11.422 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: 2, replica: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -176.056036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.056036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.056036 (E_RNA) where: Base-Base interactions energy: -103.091 where: short stacking energy: -51.914 Base-Backbone interact. energy: -0.012 local terms energy: -72.952996 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -15.479 flat angles C4'-P-C4' energy: -15.950 flat angles P-C4'-P energy: -12.815 tors. eta vs tors. theta energy: -16.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -161.788351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.788351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.788351 (E_RNA) where: Base-Base interactions energy: -96.035 where: short stacking energy: -53.744 Base-Backbone interact. energy: -0.657 local terms energy: -65.096981 where: bonds (distance) C4'-P energy: -11.556 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -15.947 flat angles P-C4'-P energy: -8.634 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: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -160.191748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.191748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.191748 (E_RNA) where: Base-Base interactions energy: -94.700 where: short stacking energy: -53.263 Base-Backbone interact. energy: -0.020 local terms energy: -65.471652 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -13.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -144.826030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.826030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.826030 (E_RNA) where: Base-Base interactions energy: -93.441 where: short stacking energy: -36.659 Base-Backbone interact. energy: 0.582 local terms energy: -51.967095 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -14.364 flat angles P-C4'-P energy: -9.887 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -103.008242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.008242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.008242 (E_RNA) where: Base-Base interactions energy: -49.458 where: short stacking energy: -26.953 Base-Backbone interact. energy: -0.191 local terms energy: -53.358798 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -12.540 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -5.296 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: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -115.339655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.339655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.339655 (E_RNA) where: Base-Base interactions energy: -58.907 where: short stacking energy: -32.965 Base-Backbone interact. energy: -0.384 local terms energy: -56.048696 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -14.622 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -9.922 tors. eta vs tors. theta energy: -6.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -77.794888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.794888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.794888 (E_RNA) where: Base-Base interactions energy: -26.062 where: short stacking energy: -26.062 Base-Backbone interact. energy: -0.005 local terms energy: -51.727632 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -14.906 flat angles C4'-P-C4' energy: -11.448 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -8.253 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: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -76.623912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.623912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.623912 (E_RNA) where: Base-Base interactions energy: -33.486 where: short stacking energy: -24.599 Base-Backbone interact. energy: -0.118 local terms energy: -43.019860 where: bonds (distance) C4'-P energy: -10.574 bonds (distance) P-C4' energy: -10.575 flat angles C4'-P-C4' energy: -9.629 flat angles P-C4'-P energy: -7.921 tors. eta vs tors. theta energy: -4.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -76.515291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.515291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.515291 (E_RNA) where: Base-Base interactions energy: -27.935 where: short stacking energy: -25.589 Base-Backbone interact. energy: 0.158 local terms energy: -48.738417 where: bonds (distance) C4'-P energy: -11.626 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -6.767 tors. eta vs tors. theta energy: -6.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -179.129843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.129843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.129843 (E_RNA) where: Base-Base interactions energy: -109.564 where: short stacking energy: -61.337 Base-Backbone interact. energy: -0.607 local terms energy: -68.958307 where: bonds (distance) C4'-P energy: -15.625 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -16.047 flat angles P-C4'-P energy: -8.902 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: 2, replica: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -174.749995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.749995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.749995 (E_RNA) where: Base-Base interactions energy: -111.119 where: short stacking energy: -51.394 Base-Backbone interact. energy: -0.735 local terms energy: -62.896444 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -6.869 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: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -173.017956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.017956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.017956 (E_RNA) where: Base-Base interactions energy: -111.457 where: short stacking energy: -54.582 Base-Backbone interact. energy: -0.238 local terms energy: -61.323269 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -12.037 flat angles C4'-P-C4' energy: -9.856 flat angles P-C4'-P energy: -9.058 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: 4, replica: 7 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -169.655534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.655534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.655534 (E_RNA) where: Base-Base interactions energy: -112.372 where: short stacking energy: -57.108 Base-Backbone interact. energy: -0.674 local terms energy: -56.609544 where: bonds (distance) C4'-P energy: -9.125 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -15.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -141.153838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.153838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.153838 (E_RNA) where: Base-Base interactions energy: -90.573 where: short stacking energy: -38.388 Base-Backbone interact. energy: -0.189 local terms energy: -50.392001 where: bonds (distance) C4'-P energy: -10.947 bonds (distance) P-C4' energy: -9.870 flat angles C4'-P-C4' energy: -13.804 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -8.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -132.313924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.313924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.313924 (E_RNA) where: Base-Base interactions energy: -79.668 where: short stacking energy: -40.753 Base-Backbone interact. energy: -0.519 local terms energy: -52.127153 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -6.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -93.369451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.369451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.369451 (E_RNA) where: Base-Base interactions energy: -43.990 where: short stacking energy: -32.268 Base-Backbone interact. energy: -0.092 local terms energy: -49.287745 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -6.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -89.258414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.258414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.258414 (E_RNA) where: Base-Base interactions energy: -36.587 where: short stacking energy: -17.778 Base-Backbone interact. energy: -0.581 local terms energy: -52.090594 where: bonds (distance) C4'-P energy: -11.916 bonds (distance) P-C4' energy: -14.932 flat angles C4'-P-C4' energy: -12.129 flat angles P-C4'-P energy: -9.616 tors. eta vs tors. theta energy: -3.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -66.751814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.751814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.751814 (E_RNA) where: Base-Base interactions energy: -21.030 where: short stacking energy: -16.796 Base-Backbone interact. energy: -0.143 local terms energy: -45.579055 where: bonds (distance) C4'-P energy: -10.859 bonds (distance) P-C4' energy: -8.532 flat angles C4'-P-C4' energy: -12.160 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -70.189620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.189620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.189620 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.429 Base-Backbone interact. energy: -0.022 local terms energy: -46.710637 where: bonds (distance) C4'-P energy: -11.560 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -9.103 flat angles P-C4'-P energy: -11.264 tors. eta vs tors. theta energy: -0.884 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: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -178.231643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.231643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.231643 (E_RNA) where: Base-Base interactions energy: -109.834 where: short stacking energy: -55.220 Base-Backbone interact. energy: -0.403 local terms energy: -67.994607 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -15.082 flat angles P-C4'-P energy: -8.024 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: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -169.168351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.168351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.168351 (E_RNA) where: Base-Base interactions energy: -104.438 where: short stacking energy: -52.339 Base-Backbone interact. energy: -0.206 local terms energy: -64.524441 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -11.331 tors. eta vs tors. theta energy: -12.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -161.085552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.085552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.085552 (E_RNA) where: Base-Base interactions energy: -96.302 where: short stacking energy: -47.892 Base-Backbone interact. energy: -0.266 local terms energy: -64.517616 where: bonds (distance) C4'-P energy: -12.491 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -13.230 flat angles P-C4'-P energy: -11.103 tors. eta vs tors. theta energy: -11.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -170.670051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.670051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.670051 (E_RNA) where: Base-Base interactions energy: -113.433 where: short stacking energy: -42.468 Base-Backbone interact. energy: -0.186 local terms energy: -57.051344 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -12.402 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -8.926 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: 5, replica: 5 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -122.158604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.158604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.158604 (E_RNA) where: Base-Base interactions energy: -70.487 where: short stacking energy: -37.229 Base-Backbone interact. energy: -0.294 local terms energy: -51.377511 where: bonds (distance) C4'-P energy: -8.709 bonds (distance) P-C4' energy: -9.769 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -11.041 tors. eta vs tors. theta energy: -7.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -132.596864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.596864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.596864 (E_RNA) where: Base-Base interactions energy: -77.854 where: short stacking energy: -29.234 Base-Backbone interact. energy: -0.025 local terms energy: -54.717357 where: bonds (distance) C4'-P energy: -16.043 bonds (distance) P-C4' energy: -15.625 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -2.054 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: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -79.719780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.719780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.719780 (E_RNA) where: Base-Base interactions energy: -41.247 where: short stacking energy: -18.873 Base-Backbone interact. energy: -0.233 local terms energy: -38.240144 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -3.388 flat angles P-C4'-P energy: -9.364 tors. eta vs tors. theta energy: 0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -84.549239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.549239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.549239 (E_RNA) where: Base-Base interactions energy: -40.498 where: short stacking energy: -18.125 Base-Backbone interact. energy: -0.813 local terms energy: -43.238744 where: bonds (distance) C4'-P energy: -10.180 bonds (distance) P-C4' energy: -12.418 flat angles C4'-P-C4' energy: -10.336 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -4.213 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: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -77.732651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.732651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.732651 (E_RNA) where: Base-Base interactions energy: -26.999 where: short stacking energy: -26.603 Base-Backbone interact. energy: -0.246 local terms energy: -50.486789 where: bonds (distance) C4'-P energy: -14.424 bonds (distance) P-C4' energy: -10.717 flat angles C4'-P-C4' energy: -12.745 flat angles P-C4'-P energy: -8.476 tors. eta vs tors. theta energy: -4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -68.345270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.345270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.345270 (E_RNA) where: Base-Base interactions energy: -21.723 where: short stacking energy: -19.801 Base-Backbone interact. energy: -0.019 local terms energy: -46.603226 where: bonds (distance) C4'-P energy: -10.503 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -12.719 flat angles P-C4'-P energy: -11.400 tors. eta vs tors. theta energy: 1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -178.032378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.032378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.032378 (E_RNA) where: Base-Base interactions energy: -119.764 where: short stacking energy: -42.261 Base-Backbone interact. energy: -1.030 local terms energy: -57.238662 where: bonds (distance) C4'-P energy: -10.934 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -11.938 flat angles P-C4'-P energy: -11.551 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -172.694808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.694808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.694808 (E_RNA) where: Base-Base interactions energy: -107.233 where: short stacking energy: -58.300 Base-Backbone interact. energy: -0.017 local terms energy: -65.445475 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -13.309 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -10.198 tors. eta vs tors. theta energy: -11.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -172.657015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.657015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.657015 (E_RNA) where: Base-Base interactions energy: -108.803 where: short stacking energy: -53.785 Base-Backbone interact. energy: -0.422 local terms energy: -63.431857 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -13.023 flat angles P-C4'-P energy: -8.342 tors. eta vs tors. theta energy: -15.320 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: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -167.945725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.945725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.945725 (E_RNA) where: Base-Base interactions energy: -105.214 where: short stacking energy: -47.979 Base-Backbone interact. energy: -0.042 local terms energy: -62.689788 where: bonds (distance) C4'-P energy: -12.918 bonds (distance) P-C4' energy: -13.322 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -9.140 tors. eta vs tors. theta energy: -13.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -135.002519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.002519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.002519 (E_RNA) where: Base-Base interactions energy: -77.755 where: short stacking energy: -44.082 Base-Backbone interact. energy: -0.147 local terms energy: -57.100413 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -12.354 flat angles P-C4'-P energy: -10.262 tors. eta vs tors. theta energy: -11.711 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: 225 Temperature: 1.150000 Total energy: -124.350404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.350404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.350404 (E_RNA) where: Base-Base interactions energy: -69.749 where: short stacking energy: -37.315 Base-Backbone interact. energy: -0.029 local terms energy: -54.572291 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -14.779 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: -8.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -85.935599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.935599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.935599 (E_RNA) where: Base-Base interactions energy: -39.217 where: short stacking energy: -24.971 Base-Backbone interact. energy: -0.071 local terms energy: -46.647413 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -9.660 flat angles C4'-P-C4' energy: -10.101 flat angles P-C4'-P energy: -11.594 tors. eta vs tors. theta energy: -1.990 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: 10 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -83.114557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.114557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.114557 (E_RNA) where: Base-Base interactions energy: -32.734 where: short stacking energy: -26.001 Base-Backbone interact. energy: -1.109 local terms energy: -49.271241 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -10.070 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -4.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -104.053722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.053722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.053722 (E_RNA) where: Base-Base interactions energy: -60.403 where: short stacking energy: -30.933 Base-Backbone interact. energy: 0.980 local terms energy: -44.630479 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -11.965 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -6.621 tors. eta vs tors. theta energy: -4.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -69.239575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.239575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.239575 (E_RNA) where: Base-Base interactions energy: -27.166 where: short stacking energy: -15.745 Base-Backbone interact. energy: -0.020 local terms energy: -42.053982 where: bonds (distance) C4'-P energy: -7.519 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -10.662 flat angles P-C4'-P energy: -6.924 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: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -189.428696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.428696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.428696 (E_RNA) where: Base-Base interactions energy: -116.146 where: short stacking energy: -55.606 Base-Backbone interact. energy: -3.557 local terms energy: -69.725724 where: bonds (distance) C4'-P energy: -15.501 bonds (distance) P-C4' energy: -16.834 flat angles C4'-P-C4' energy: -13.724 flat angles P-C4'-P energy: -8.836 tors. eta vs tors. theta energy: -14.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -189.051404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.051404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.051404 (E_RNA) where: Base-Base interactions energy: -128.731 where: short stacking energy: -55.749 Base-Backbone interact. energy: -0.233 local terms energy: -60.087780 where: bonds (distance) C4'-P energy: -13.059 bonds (distance) P-C4' energy: -10.716 flat angles C4'-P-C4' energy: -14.793 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -14.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -167.227990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.227990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.227990 (E_RNA) where: Base-Base interactions energy: -99.782 where: short stacking energy: -53.460 Base-Backbone interact. energy: -0.910 local terms energy: -66.536529 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -13.163 flat angles P-C4'-P energy: -10.957 tors. eta vs tors. theta energy: -13.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -161.760125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.760125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.760125 (E_RNA) where: Base-Base interactions energy: -97.794 where: short stacking energy: -40.564 Base-Backbone interact. energy: -0.292 local terms energy: -63.674164 where: bonds (distance) C4'-P energy: -14.197 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -11.458 flat angles P-C4'-P energy: -10.122 tors. eta vs tors. theta energy: -11.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -147.742298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.742298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.742298 (E_RNA) where: Base-Base interactions energy: -92.692 where: short stacking energy: -40.125 Base-Backbone interact. energy: -0.188 local terms energy: -54.862330 where: bonds (distance) C4'-P energy: -10.031 bonds (distance) P-C4' energy: -14.067 flat angles C4'-P-C4' energy: -11.619 flat angles P-C4'-P energy: -10.841 tors. eta vs tors. theta energy: -8.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -136.180948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.180948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.180948 (E_RNA) where: Base-Base interactions energy: -77.027 where: short stacking energy: -41.308 Base-Backbone interact. energy: -0.695 local terms energy: -58.459550 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -12.910 flat angles C4'-P-C4' energy: -15.852 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -8.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -87.789914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.789914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.789914 (E_RNA) where: Base-Base interactions energy: -36.107 where: short stacking energy: -22.688 Base-Backbone interact. energy: -0.108 local terms energy: -51.574412 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -14.190 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -9.997 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: 8, replica: 8 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -81.588245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.588245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.588245 (E_RNA) where: Base-Base interactions energy: -29.389 where: short stacking energy: -28.858 Base-Backbone interact. energy: -0.071 local terms energy: -52.128465 where: bonds (distance) C4'-P energy: -13.046 bonds (distance) P-C4' energy: -14.178 flat angles C4'-P-C4' energy: -9.437 flat angles P-C4'-P energy: -9.474 tors. eta vs tors. theta energy: -5.993 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: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -76.662602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.662602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.662602 (E_RNA) where: Base-Base interactions energy: -22.695 where: short stacking energy: -22.695 Base-Backbone interact. energy: -0.027 local terms energy: -53.941137 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -10.404 flat angles P-C4'-P energy: -11.307 tors. eta vs tors. theta energy: -4.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -76.691158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.691158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.691158 (E_RNA) where: Base-Base interactions energy: -26.523 where: short stacking energy: -26.523 Base-Backbone interact. energy: -0.073 local terms energy: -50.094402 where: bonds (distance) C4'-P energy: -13.066 bonds (distance) P-C4' energy: -13.448 flat angles C4'-P-C4' energy: -11.740 flat angles P-C4'-P energy: -10.759 tors. eta vs tors. theta energy: -1.082 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: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -191.694556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.694556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.694556 (E_RNA) where: Base-Base interactions energy: -122.377 where: short stacking energy: -52.642 Base-Backbone interact. energy: -1.384 local terms energy: -67.934076 where: bonds (distance) C4'-P energy: -14.970 bonds (distance) P-C4' energy: -15.564 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -16.285 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: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -173.689431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.689431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.689431 (E_RNA) where: Base-Base interactions energy: -101.728 where: short stacking energy: -52.768 Base-Backbone interact. energy: -0.591 local terms energy: -71.369820 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -9.731 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: 3, replica: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -173.455567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.455567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.455567 (E_RNA) where: Base-Base interactions energy: -110.161 where: short stacking energy: -56.528 Base-Backbone interact. energy: -0.862 local terms energy: -62.432949 where: bonds (distance) C4'-P energy: -15.873 bonds (distance) P-C4' energy: -13.626 flat angles C4'-P-C4' energy: -10.289 flat angles P-C4'-P energy: -9.194 tors. eta vs tors. theta energy: -13.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -148.006405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.006405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.006405 (E_RNA) where: Base-Base interactions energy: -93.022 where: short stacking energy: -40.102 Base-Backbone interact. energy: 0.113 local terms energy: -55.097073 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -7.949 tors. eta vs tors. theta energy: -7.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -146.878840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.878840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.878840 (E_RNA) where: Base-Base interactions energy: -87.836 where: short stacking energy: -49.618 Base-Backbone interact. energy: -0.048 local terms energy: -58.995684 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -10.379 flat angles C4'-P-C4' energy: -12.106 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -13.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -127.265627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.265627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.265627 (E_RNA) where: Base-Base interactions energy: -72.352 where: short stacking energy: -25.222 Base-Backbone interact. energy: 0.310 local terms energy: -55.224053 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -11.255 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -10.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -90.246627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.246627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.246627 (E_RNA) where: Base-Base interactions energy: -38.849 where: short stacking energy: -28.959 Base-Backbone interact. energy: -0.468 local terms energy: -50.929693 where: bonds (distance) C4'-P energy: -14.916 bonds (distance) P-C4' energy: -13.347 flat angles C4'-P-C4' energy: -10.563 flat angles P-C4'-P energy: -7.391 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: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -105.731373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.731373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.731373 (E_RNA) where: Base-Base interactions energy: -54.304 where: short stacking energy: -17.098 Base-Backbone interact. energy: 0.633 local terms energy: -52.060068 where: bonds (distance) C4'-P energy: -13.521 bonds (distance) P-C4' energy: -9.876 flat angles C4'-P-C4' energy: -14.573 flat angles P-C4'-P energy: -11.329 tors. eta vs tors. theta energy: -2.762 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: 8 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -85.038434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.038434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.038434 (E_RNA) where: Base-Base interactions energy: -35.655 where: short stacking energy: -26.151 Base-Backbone interact. energy: 0.643 local terms energy: -50.026932 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -8.922 flat angles P-C4'-P energy: -7.587 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: 10, replica: 6 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -67.095157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.095157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.095157 (E_RNA) where: Base-Base interactions energy: -21.669 where: short stacking energy: -18.071 Base-Backbone interact. energy: -0.149 local terms energy: -45.277384 where: bonds (distance) C4'-P energy: -10.424 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -5.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -191.222875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.222875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.222875 (E_RNA) where: Base-Base interactions energy: -128.385 where: short stacking energy: -54.926 Base-Backbone interact. energy: -0.791 local terms energy: -62.046861 where: bonds (distance) C4'-P energy: -12.458 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -13.940 flat angles P-C4'-P energy: -8.937 tors. eta vs tors. theta energy: -10.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -175.339637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.339637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.339637 (E_RNA) where: Base-Base interactions energy: -104.573 where: short stacking energy: -53.990 Base-Backbone interact. energy: -0.309 local terms energy: -70.457589 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -15.295 flat angles C4'-P-C4' energy: -14.398 flat angles P-C4'-P energy: -10.682 tors. eta vs tors. theta energy: -19.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -165.607212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.607212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.607212 (E_RNA) where: Base-Base interactions energy: -102.486 where: short stacking energy: -40.596 Base-Backbone interact. energy: -0.712 local terms energy: -62.408814 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -13.914 flat angles C4'-P-C4' energy: -13.393 flat angles P-C4'-P energy: -11.528 tors. eta vs tors. theta energy: -9.895 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: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -143.210908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.210908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.210908 (E_RNA) where: Base-Base interactions energy: -87.658 where: short stacking energy: -38.989 Base-Backbone interact. energy: -0.064 local terms energy: -55.489578 where: bonds (distance) C4'-P energy: -14.984 bonds (distance) P-C4' energy: -13.473 flat angles C4'-P-C4' energy: -10.220 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -9.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -149.759648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.759648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.759648 (E_RNA) where: Base-Base interactions energy: -92.844 where: short stacking energy: -42.302 Base-Backbone interact. energy: -0.286 local terms energy: -56.629516 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -9.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -139.150461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.150461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.150461 (E_RNA) where: Base-Base interactions energy: -79.346 where: short stacking energy: -38.580 Base-Backbone interact. energy: -0.199 local terms energy: -59.605233 where: bonds (distance) C4'-P energy: -15.943 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -10.763 flat angles P-C4'-P energy: -6.350 tors. eta vs tors. theta energy: -11.831 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: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -84.621977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.621977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.621977 (E_RNA) where: Base-Base interactions energy: -27.056 where: short stacking energy: -20.734 Base-Backbone interact. energy: -0.091 local terms energy: -57.474981 where: bonds (distance) C4'-P energy: -13.567 bonds (distance) P-C4' energy: -14.756 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -10.816 tors. eta vs tors. theta energy: -4.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -76.961706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.961706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.961706 (E_RNA) where: Base-Base interactions energy: -37.261 where: short stacking energy: -18.970 Base-Backbone interact. energy: -0.458 local terms energy: -39.243068 where: bonds (distance) C4'-P energy: -9.075 bonds (distance) P-C4' energy: -13.952 flat angles C4'-P-C4' energy: -11.076 flat angles P-C4'-P energy: -7.858 tors. eta vs tors. theta energy: 2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -86.497253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.497253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.497253 (E_RNA) where: Base-Base interactions energy: -38.287 where: short stacking energy: -33.633 Base-Backbone interact. energy: -0.088 local terms energy: -48.121885 where: bonds (distance) C4'-P energy: -11.905 bonds (distance) P-C4' energy: -13.724 flat angles C4'-P-C4' energy: -9.470 flat angles P-C4'-P energy: -9.710 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -98.992187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.992187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.992187 (E_RNA) where: Base-Base interactions energy: -56.638 where: short stacking energy: -28.225 Base-Backbone interact. energy: -0.035 local terms energy: -42.318876 where: bonds (distance) C4'-P energy: -10.562 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -7.184 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -1.657 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: 229 Temperature: 0.900000 Total energy: -186.876073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.876073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.876073 (E_RNA) where: Base-Base interactions energy: -124.447 where: short stacking energy: -55.317 Base-Backbone interact. energy: -0.101 local terms energy: -62.328406 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -14.565 flat angles P-C4'-P energy: -11.508 tors. eta vs tors. theta energy: -12.241 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: 229 Temperature: 0.950000 Total energy: -163.290513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.290513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.290513 (E_RNA) where: Base-Base interactions energy: -106.431 where: short stacking energy: -57.835 Base-Backbone interact. energy: -0.084 local terms energy: -56.774955 where: bonds (distance) C4'-P energy: -9.369 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -12.733 flat angles P-C4'-P energy: -9.834 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: 3, replica: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -178.582978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.582978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.582978 (E_RNA) where: Base-Base interactions energy: -102.826 where: short stacking energy: -59.167 Base-Backbone interact. energy: -0.321 local terms energy: -75.435608 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -9.981 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: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -138.297811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.297811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.297811 (E_RNA) where: Base-Base interactions energy: -80.544 where: short stacking energy: -35.096 Base-Backbone interact. energy: -0.157 local terms energy: -57.596752 where: bonds (distance) C4'-P energy: -13.629 bonds (distance) P-C4' energy: -15.206 flat angles C4'-P-C4' energy: -15.586 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -4.895 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: 5 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -153.143707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.143707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.143707 (E_RNA) where: Base-Base interactions energy: -96.784 where: short stacking energy: -45.647 Base-Backbone interact. energy: -0.466 local terms energy: -55.893606 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -11.311 flat angles C4'-P-C4' energy: -9.947 flat angles P-C4'-P energy: -11.348 tors. eta vs tors. theta energy: -10.861 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: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -137.477441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.477441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.477441 (E_RNA) where: Base-Base interactions energy: -85.515 where: short stacking energy: -38.995 Base-Backbone interact. energy: -0.565 local terms energy: -51.397195 where: bonds (distance) C4'-P energy: -11.687 bonds (distance) P-C4' energy: -10.872 flat angles C4'-P-C4' energy: -11.470 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -9.573 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: 229 Temperature: 1.200000 Total energy: -86.871814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.871814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.871814 (E_RNA) where: Base-Base interactions energy: -35.752 where: short stacking energy: -32.403 Base-Backbone interact. energy: -0.127 local terms energy: -50.992587 where: bonds (distance) C4'-P energy: -12.210 bonds (distance) P-C4' energy: -9.483 flat angles C4'-P-C4' energy: -10.927 flat angles P-C4'-P energy: -7.911 tors. eta vs tors. theta energy: -10.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -75.558916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558916 (E_RNA) where: Base-Base interactions energy: -26.648 where: short stacking energy: -16.229 Base-Backbone interact. energy: -0.301 local terms energy: -48.610262 where: bonds (distance) C4'-P energy: -12.892 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -10.319 flat angles P-C4'-P energy: -7.177 tors. eta vs tors. theta energy: -3.068 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: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -73.106273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.106273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.106273 (E_RNA) where: Base-Base interactions energy: -31.066 where: short stacking energy: -20.620 Base-Backbone interact. energy: 1.418 local terms energy: -43.457446 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -10.552 flat angles C4'-P-C4' energy: -9.518 flat angles P-C4'-P energy: -7.411 tors. eta vs tors. theta energy: -2.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -76.485413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.485413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.485413 (E_RNA) where: Base-Base interactions energy: -46.185 where: short stacking energy: -28.291 Base-Backbone interact. energy: -0.078 local terms energy: -30.222463 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -6.779 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -189.556766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.556766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.556766 (E_RNA) where: Base-Base interactions energy: -122.593 where: short stacking energy: -55.035 Base-Backbone interact. energy: -0.655 local terms energy: -66.308739 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -14.733 flat angles C4'-P-C4' energy: -13.518 flat angles P-C4'-P energy: -10.032 tors. eta vs tors. theta energy: -15.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -173.394028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.394028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.394028 (E_RNA) where: Base-Base interactions energy: -112.529 where: short stacking energy: -50.321 Base-Backbone interact. energy: -0.213 local terms energy: -60.651494 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -10.903 flat angles P-C4'-P energy: -7.820 tors. eta vs tors. theta energy: -13.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -176.068634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.068634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.068634 (E_RNA) where: Base-Base interactions energy: -107.632 where: short stacking energy: -56.583 Base-Backbone interact. energy: -0.778 local terms energy: -67.658972 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -10.060 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: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -149.930098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.930098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.930098 (E_RNA) where: Base-Base interactions energy: -88.989 where: short stacking energy: -53.249 Base-Backbone interact. energy: -0.050 local terms energy: -60.890425 where: bonds (distance) C4'-P energy: -9.952 bonds (distance) P-C4' energy: -12.846 flat angles C4'-P-C4' energy: -14.243 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -13.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -146.585359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.585359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.585359 (E_RNA) where: Base-Base interactions energy: -87.773 where: short stacking energy: -42.390 Base-Backbone interact. energy: -0.126 local terms energy: -58.687220 where: bonds (distance) C4'-P energy: -14.110 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: -11.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -135.799181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.799181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.799181 (E_RNA) where: Base-Base interactions energy: -78.675 where: short stacking energy: -36.053 Base-Backbone interact. energy: -1.118 local terms energy: -56.006243 where: bonds (distance) C4'-P energy: -11.283 bonds (distance) P-C4' energy: -15.616 flat angles C4'-P-C4' energy: -15.072 flat angles P-C4'-P energy: -10.173 tors. eta vs tors. theta energy: -3.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -89.636513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.636513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.636513 (E_RNA) where: Base-Base interactions energy: -34.319 where: short stacking energy: -34.319 Base-Backbone interact. energy: -0.754 local terms energy: -54.562707 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -13.420 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -8.927 tors. eta vs tors. theta energy: -8.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -68.390964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.390964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.390964 (E_RNA) where: Base-Base interactions energy: -24.775 where: short stacking energy: -24.775 Base-Backbone interact. energy: -0.253 local terms energy: -43.363563 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -11.158 flat angles C4'-P-C4' energy: -10.904 flat angles P-C4'-P energy: -8.144 tors. eta vs tors. theta energy: -1.648 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: 8 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -81.876586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.876586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.876586 (E_RNA) where: Base-Base interactions energy: -28.915 where: short stacking energy: -28.915 Base-Backbone interact. energy: -0.090 local terms energy: -52.871213 where: bonds (distance) C4'-P energy: -15.149 bonds (distance) P-C4' energy: -10.369 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -5.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -67.098825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.098825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.098825 (E_RNA) where: Base-Base interactions energy: -24.092 where: short stacking energy: -16.253 Base-Backbone interact. energy: -1.065 local terms energy: -41.941817 where: bonds (distance) C4'-P energy: -11.165 bonds (distance) P-C4' energy: -10.347 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -7.340 tors. eta vs tors. theta energy: -0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -189.682745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.682745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.682745 (E_RNA) where: Base-Base interactions energy: -123.912 where: short stacking energy: -56.172 Base-Backbone interact. energy: -0.087 local terms energy: -65.683982 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -10.701 flat angles P-C4'-P energy: -12.700 tors. eta vs tors. theta energy: -12.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -180.535623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.535623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.535623 (E_RNA) where: Base-Base interactions energy: -111.677 where: short stacking energy: -58.020 Base-Backbone interact. energy: -0.687 local terms energy: -68.170829 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -18.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -167.432604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.432604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.432604 (E_RNA) where: Base-Base interactions energy: -104.687 where: short stacking energy: -51.536 Base-Backbone interact. energy: -0.447 local terms energy: -62.299247 where: bonds (distance) C4'-P energy: -12.333 bonds (distance) P-C4' energy: -13.436 flat angles C4'-P-C4' energy: -15.817 flat angles P-C4'-P energy: -8.394 tors. eta vs tors. theta energy: -12.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -143.612651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.612651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.612651 (E_RNA) where: Base-Base interactions energy: -90.286 where: short stacking energy: -36.951 Base-Backbone interact. energy: -0.417 local terms energy: -52.909261 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -11.447 flat angles P-C4'-P energy: -8.585 tors. eta vs tors. theta energy: -5.531 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: 231 Temperature: 1.100000 Total energy: -124.656038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.656038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.656038 (E_RNA) where: Base-Base interactions energy: -72.313 where: short stacking energy: -41.396 Base-Backbone interact. energy: -0.003 local terms energy: -52.340221 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -12.769 flat angles P-C4'-P energy: -8.563 tors. eta vs tors. theta energy: -11.138 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: 6, replica: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -86.548508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.548508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.548508 (E_RNA) where: Base-Base interactions energy: -37.433 where: short stacking energy: -37.433 Base-Backbone interact. energy: -0.102 local terms energy: -49.013497 where: bonds (distance) C4'-P energy: -10.723 bonds (distance) P-C4' energy: -11.239 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: -6.444 tors. eta vs tors. theta energy: -8.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -86.958149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.958149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.958149 (E_RNA) where: Base-Base interactions energy: -37.581 where: short stacking energy: -20.886 Base-Backbone interact. energy: 0.381 local terms energy: -49.758120 where: bonds (distance) C4'-P energy: -10.864 bonds (distance) P-C4' energy: -15.427 flat angles C4'-P-C4' energy: -11.818 flat angles P-C4'-P energy: -7.961 tors. eta vs tors. theta energy: -3.687 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: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -77.250726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.250726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.250726 (E_RNA) where: Base-Base interactions energy: -23.996 where: short stacking energy: -23.996 Base-Backbone interact. energy: -0.128 local terms energy: -53.126528 where: bonds (distance) C4'-P energy: -11.161 bonds (distance) P-C4' energy: -13.375 flat angles C4'-P-C4' energy: -15.214 flat angles P-C4'-P energy: -8.187 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: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -75.246191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.246191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.246191 (E_RNA) where: Base-Base interactions energy: -23.661 where: short stacking energy: -23.661 Base-Backbone interact. energy: -0.070 local terms energy: -51.515674 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -6.691 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -75.463343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.463343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.463343 (E_RNA) where: Base-Base interactions energy: -27.346 where: short stacking energy: -25.555 Base-Backbone interact. energy: -0.207 local terms energy: -47.910682 where: bonds (distance) C4'-P energy: -13.091 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -187.422559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.422559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.422559 (E_RNA) where: Base-Base interactions energy: -123.842 where: short stacking energy: -51.151 Base-Backbone interact. energy: -0.705 local terms energy: -62.875747 where: bonds (distance) C4'-P energy: -13.530 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -9.088 tors. eta vs tors. theta energy: -11.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -182.545724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.545724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.545724 (E_RNA) where: Base-Base interactions energy: -130.901 where: short stacking energy: -49.417 Base-Backbone interact. energy: -0.200 local terms energy: -51.444213 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -15.053 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: 2 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -164.176816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.176816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.176816 (E_RNA) where: Base-Base interactions energy: -102.293 where: short stacking energy: -40.892 Base-Backbone interact. energy: -0.227 local terms energy: -61.656251 where: bonds (distance) C4'-P energy: -11.609 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -15.708 flat angles P-C4'-P energy: -11.644 tors. eta vs tors. theta energy: -11.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -147.405052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.405052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.405052 (E_RNA) where: Base-Base interactions energy: -92.745 where: short stacking energy: -42.214 Base-Backbone interact. energy: 0.525 local terms energy: -55.185031 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -13.130 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -8.853 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: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -124.476981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.476981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.476981 (E_RNA) where: Base-Base interactions energy: -68.408 where: short stacking energy: -36.270 Base-Backbone interact. energy: -0.540 local terms energy: -55.529124 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -12.838 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -6.865 tors. eta vs tors. theta energy: -8.509 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: 10 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -83.799007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.799007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.799007 (E_RNA) where: Base-Base interactions energy: -37.179 where: short stacking energy: -37.179 Base-Backbone interact. energy: -0.244 local terms energy: -46.376038 where: bonds (distance) C4'-P energy: -8.517 bonds (distance) P-C4' energy: -10.802 flat angles C4'-P-C4' energy: -14.750 flat angles P-C4'-P energy: -10.086 tors. eta vs tors. theta energy: -2.221 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: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -74.086208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.086208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.086208 (E_RNA) where: Base-Base interactions energy: -24.142 where: short stacking energy: -23.745 Base-Backbone interact. energy: -0.164 local terms energy: -49.780404 where: bonds (distance) C4'-P energy: -11.959 bonds (distance) P-C4' energy: -12.112 flat angles C4'-P-C4' energy: -11.863 flat angles P-C4'-P energy: -9.841 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -83.558014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.558014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.558014 (E_RNA) where: Base-Base interactions energy: -39.776 where: short stacking energy: -38.405 Base-Backbone interact. energy: 2.930 local terms energy: -46.711378 where: bonds (distance) C4'-P energy: -5.458 bonds (distance) P-C4' energy: -14.190 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: -6.221 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: 9, replica: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -71.061177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.061177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.061177 (E_RNA) where: Base-Base interactions energy: -22.025 where: short stacking energy: -20.554 Base-Backbone interact. energy: 0.159 local terms energy: -49.195350 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -11.018 flat angles P-C4'-P energy: -11.610 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: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -76.284205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.284205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.284205 (E_RNA) where: Base-Base interactions energy: -30.947 where: short stacking energy: -30.947 Base-Backbone interact. energy: 0.520 local terms energy: -45.858075 where: bonds (distance) C4'-P energy: -10.897 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -5.607 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: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -172.178728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.178728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.178728 (E_RNA) where: Base-Base interactions energy: -107.477 where: short stacking energy: -58.687 Base-Backbone interact. energy: -0.148 local terms energy: -64.553845 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -16.210 flat angles P-C4'-P energy: -10.541 tors. eta vs tors. theta energy: -12.648 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: 9 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -186.244081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.244081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.244081 (E_RNA) where: Base-Base interactions energy: -124.685 where: short stacking energy: -43.689 Base-Backbone interact. energy: -0.631 local terms energy: -60.928241 where: bonds (distance) C4'-P energy: -12.077 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -15.844 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -11.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -162.473836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.473836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.473836 (E_RNA) where: Base-Base interactions energy: -100.818 where: short stacking energy: -51.901 Base-Backbone interact. energy: -0.086 local terms energy: -61.570176 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -14.297 flat angles C4'-P-C4' energy: -14.126 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -11.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -156.706999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.706999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.706999 (E_RNA) where: Base-Base interactions energy: -96.928 where: short stacking energy: -44.727 Base-Backbone interact. energy: -0.118 local terms energy: -59.661397 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -10.039 tors. eta vs tors. theta energy: -7.874 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: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -135.536098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.536098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.536098 (E_RNA) where: Base-Base interactions energy: -80.338 where: short stacking energy: -48.612 Base-Backbone interact. energy: -0.004 local terms energy: -55.194403 where: bonds (distance) C4'-P energy: -10.147 bonds (distance) P-C4' energy: -12.901 flat angles C4'-P-C4' energy: -11.386 flat angles P-C4'-P energy: -9.954 tors. eta vs tors. theta energy: -10.806 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: 6, replica: 10 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -86.968828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.968828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.968828 (E_RNA) where: Base-Base interactions energy: -41.717 where: short stacking energy: -24.918 Base-Backbone interact. energy: -0.633 local terms energy: -44.618639 where: bonds (distance) C4'-P energy: -15.815 bonds (distance) P-C4' energy: -12.199 flat angles C4'-P-C4' energy: -11.144 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: 1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -78.298116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.298116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.298116 (E_RNA) where: Base-Base interactions energy: -30.578 where: short stacking energy: -17.928 Base-Backbone interact. energy: -0.172 local terms energy: -47.548140 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -13.389 flat angles C4'-P-C4' energy: -8.679 flat angles P-C4'-P energy: -11.908 tors. eta vs tors. theta energy: 0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -79.384525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.384525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.384525 (E_RNA) where: Base-Base interactions energy: -30.170 where: short stacking energy: -28.131 Base-Backbone interact. energy: -1.058 local terms energy: -48.156184 where: bonds (distance) C4'-P energy: -11.311 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -13.276 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -5.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -67.963520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.963520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.963520 (E_RNA) where: Base-Base interactions energy: -18.269 where: short stacking energy: -18.269 Base-Backbone interact. energy: -0.050 local terms energy: -49.645197 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -12.160 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -72.996100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.996100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.996100 (E_RNA) where: Base-Base interactions energy: -30.884 where: short stacking energy: -16.953 Base-Backbone interact. energy: -0.195 local terms energy: -41.917077 where: bonds (distance) C4'-P energy: -12.155 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -10.531 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -1.530 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: 9 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -195.833307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.833307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.833307 (E_RNA) where: Base-Base interactions energy: -132.907 where: short stacking energy: -48.969 Base-Backbone interact. energy: -0.145 local terms energy: -62.781398 where: bonds (distance) C4'-P energy: -14.061 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -10.199 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: 234 Temperature: 0.950000 Total energy: -172.030952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.030952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.030952 (E_RNA) where: Base-Base interactions energy: -110.027 where: short stacking energy: -57.370 Base-Backbone interact. energy: -0.002 local terms energy: -62.002403 where: bonds (distance) C4'-P energy: -10.627 bonds (distance) P-C4' energy: -15.642 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -7.142 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: 234 Temperature: 1.000000 Total energy: -155.828589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.828589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.828589 (E_RNA) where: Base-Base interactions energy: -92.857 where: short stacking energy: -47.348 Base-Backbone interact. energy: -0.153 local terms energy: -62.818807 where: bonds (distance) C4'-P energy: -13.079 bonds (distance) P-C4' energy: -17.137 flat angles C4'-P-C4' energy: -11.063 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -12.669 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: 234 Temperature: 1.050000 Total energy: -165.310392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.310392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.310392 (E_RNA) where: Base-Base interactions energy: -96.537 where: short stacking energy: -47.821 Base-Backbone interact. energy: -0.223 local terms energy: -68.550209 where: bonds (distance) C4'-P energy: -16.212 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -12.795 flat angles P-C4'-P energy: -10.806 tors. eta vs tors. theta energy: -14.531 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: 234 Temperature: 1.100000 Total energy: -113.868348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.868348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.868348 (E_RNA) where: Base-Base interactions energy: -61.216 where: short stacking energy: -35.764 Base-Backbone interact. energy: -0.032 local terms energy: -52.620554 where: bonds (distance) C4'-P energy: -9.940 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -10.540 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: 6, replica: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -86.510838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.510838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.510838 (E_RNA) where: Base-Base interactions energy: -27.970 where: short stacking energy: -27.970 Base-Backbone interact. energy: 1.060 local terms energy: -59.600891 where: bonds (distance) C4'-P energy: -11.753 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -12.915 flat angles P-C4'-P energy: -10.721 tors. eta vs tors. theta energy: -7.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -86.798625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.798625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.798625 (E_RNA) where: Base-Base interactions energy: -32.749 where: short stacking energy: -28.472 Base-Backbone interact. energy: -0.170 local terms energy: -53.879964 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -12.636 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -10.468 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -79.206677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.206677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.206677 (E_RNA) where: Base-Base interactions energy: -36.503 where: short stacking energy: -15.299 Base-Backbone interact. energy: -0.137 local terms energy: -42.566611 where: bonds (distance) C4'-P energy: -13.530 bonds (distance) P-C4' energy: -4.345 flat angles C4'-P-C4' energy: -12.324 flat angles P-C4'-P energy: -8.425 tors. eta vs tors. theta energy: -3.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -84.132143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.132143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.132143 (E_RNA) where: Base-Base interactions energy: -30.433 where: short stacking energy: -30.433 Base-Backbone interact. energy: -0.023 local terms energy: -53.676479 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -12.494 flat angles C4'-P-C4' energy: -13.376 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -9.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -68.406383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.406383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.406383 (E_RNA) where: Base-Base interactions energy: -21.711 where: short stacking energy: -17.299 Base-Backbone interact. energy: -0.044 local terms energy: -46.651768 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -9.320 flat angles P-C4'-P energy: -7.017 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: 1, replica: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -191.336359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.336359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.336359 (E_RNA) where: Base-Base interactions energy: -133.727 where: short stacking energy: -53.080 Base-Backbone interact. energy: 0.021 local terms energy: -57.629878 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -9.675 tors. eta vs tors. theta energy: -11.248 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: 5 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -167.338643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.338643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.338643 (E_RNA) where: Base-Base interactions energy: -100.337 where: short stacking energy: -52.877 Base-Backbone interact. energy: -0.592 local terms energy: -66.409498 where: bonds (distance) C4'-P energy: -14.668 bonds (distance) P-C4' energy: -15.331 flat angles C4'-P-C4' energy: -15.591 flat angles P-C4'-P energy: -7.781 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: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -172.298721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.298721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.298721 (E_RNA) where: Base-Base interactions energy: -106.497 where: short stacking energy: -51.350 Base-Backbone interact. energy: -0.620 local terms energy: -65.182226 where: bonds (distance) C4'-P energy: -14.241 bonds (distance) P-C4' energy: -12.846 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -9.170 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: 4, replica: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -167.637353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.637353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.637353 (E_RNA) where: Base-Base interactions energy: -101.286 where: short stacking energy: -55.169 Base-Backbone interact. energy: -0.024 local terms energy: -66.327113 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -14.940 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -6.273 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: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -124.326198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.326198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.326198 (E_RNA) where: Base-Base interactions energy: -69.619 where: short stacking energy: -38.006 Base-Backbone interact. energy: -0.164 local terms energy: -54.544033 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -9.644 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -8.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -76.817293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.817293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.817293 (E_RNA) where: Base-Base interactions energy: -37.038 where: short stacking energy: -21.095 Base-Backbone interact. energy: -0.358 local terms energy: -39.420755 where: bonds (distance) C4'-P energy: -8.723 bonds (distance) P-C4' energy: -8.430 flat angles C4'-P-C4' energy: -16.513 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -83.951843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.951843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.951843 (E_RNA) where: Base-Base interactions energy: -32.833 where: short stacking energy: -32.740 Base-Backbone interact. energy: -0.224 local terms energy: -50.894561 where: bonds (distance) C4'-P energy: -9.390 bonds (distance) P-C4' energy: -12.360 flat angles C4'-P-C4' energy: -14.806 flat angles P-C4'-P energy: -11.490 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: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -83.925933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.925933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.925933 (E_RNA) where: Base-Base interactions energy: -33.613 where: short stacking energy: -33.613 Base-Backbone interact. energy: -0.001 local terms energy: -50.311615 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -15.297 flat angles C4'-P-C4' energy: -14.193 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -65.827473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.827473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.827473 (E_RNA) where: Base-Base interactions energy: -17.786 where: short stacking energy: -17.786 Base-Backbone interact. energy: -0.571 local terms energy: -47.470283 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -10.761 flat angles C4'-P-C4' energy: -11.741 flat angles P-C4'-P energy: -10.330 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -75.353636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.353636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.353636 (E_RNA) where: Base-Base interactions energy: -26.998 where: short stacking energy: -26.998 Base-Backbone interact. energy: -0.531 local terms energy: -47.825005 where: bonds (distance) C4'-P energy: -14.001 bonds (distance) P-C4' energy: -10.240 flat angles C4'-P-C4' energy: -12.278 flat angles P-C4'-P energy: -8.809 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -167.043265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.043265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.043265 (E_RNA) where: Base-Base interactions energy: -98.171 where: short stacking energy: -59.014 Base-Backbone interact. energy: -0.273 local terms energy: -68.599668 where: bonds (distance) C4'-P energy: -13.323 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -17.333 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -15.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -193.105455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.105455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.105455 (E_RNA) where: Base-Base interactions energy: -129.161 where: short stacking energy: -55.328 Base-Backbone interact. energy: -0.815 local terms energy: -63.129566 where: bonds (distance) C4'-P energy: -12.205 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -10.562 tors. eta vs tors. theta energy: -14.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -166.582674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.582674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.582674 (E_RNA) where: Base-Base interactions energy: -105.967 where: short stacking energy: -47.232 Base-Backbone interact. energy: -0.869 local terms energy: -59.746369 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -16.160 flat angles C4'-P-C4' energy: -12.993 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -13.301 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: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -163.900495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.900495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.900495 (E_RNA) where: Base-Base interactions energy: -104.248 where: short stacking energy: -41.235 Base-Backbone interact. energy: 0.072 local terms energy: -59.724590 where: bonds (distance) C4'-P energy: -10.230 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -14.111 flat angles P-C4'-P energy: -8.498 tors. eta vs tors. theta energy: -11.371 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: 4 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -124.434244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.434244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.434244 (E_RNA) where: Base-Base interactions energy: -77.468 where: short stacking energy: -39.416 Base-Backbone interact. energy: -0.345 local terms energy: -46.621078 where: bonds (distance) C4'-P energy: -15.545 bonds (distance) P-C4' energy: -12.339 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -8.246 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -91.301119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.301119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.301119 (E_RNA) where: Base-Base interactions energy: -42.328 where: short stacking energy: -31.707 Base-Backbone interact. energy: -0.068 local terms energy: -48.904838 where: bonds (distance) C4'-P energy: -10.797 bonds (distance) P-C4' energy: -10.858 flat angles C4'-P-C4' energy: -12.082 flat angles P-C4'-P energy: -9.523 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: 7, replica: 1 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -70.168768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.168768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.168768 (E_RNA) where: Base-Base interactions energy: -25.016 where: short stacking energy: -23.846 Base-Backbone interact. energy: -0.064 local terms energy: -45.089090 where: bonds (distance) C4'-P energy: -12.168 bonds (distance) P-C4' energy: -11.955 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -11.021 tors. eta vs tors. theta energy: -2.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -74.224701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.224701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.224701 (E_RNA) where: Base-Base interactions energy: -26.163 where: short stacking energy: -26.163 Base-Backbone interact. energy: -0.227 local terms energy: -47.834720 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -9.930 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -8.466 tors. eta vs tors. theta energy: -6.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -78.204767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.204767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.204767 (E_RNA) where: Base-Base interactions energy: -32.691 where: short stacking energy: -13.818 Base-Backbone interact. energy: -0.115 local terms energy: -45.398570 where: bonds (distance) C4'-P energy: -11.568 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -10.509 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -76.165787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.165787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.165787 (E_RNA) where: Base-Base interactions energy: -25.904 where: short stacking energy: -25.904 Base-Backbone interact. energy: -0.039 local terms energy: -50.222583 where: bonds (distance) C4'-P energy: -10.354 bonds (distance) P-C4' energy: -12.368 flat angles C4'-P-C4' energy: -11.253 flat angles P-C4'-P energy: -8.622 tors. eta vs tors. theta energy: -7.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -172.291527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.291527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.291527 (E_RNA) where: Base-Base interactions energy: -110.996 where: short stacking energy: -52.745 Base-Backbone interact. energy: -0.045 local terms energy: -61.250100 where: bonds (distance) C4'-P energy: -14.640 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -11.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -169.679000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.679000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.679000 (E_RNA) where: Base-Base interactions energy: -107.121 where: short stacking energy: -51.628 Base-Backbone interact. energy: -0.673 local terms energy: -61.884731 where: bonds (distance) C4'-P energy: -10.263 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -14.439 flat angles P-C4'-P energy: -7.152 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: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -171.921178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.921178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.921178 (E_RNA) where: Base-Base interactions energy: -106.895 where: short stacking energy: -60.419 Base-Backbone interact. energy: 0.971 local terms energy: -65.996941 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -18.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -164.402320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.402320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.402320 (E_RNA) where: Base-Base interactions energy: -99.607 where: short stacking energy: -46.175 Base-Backbone interact. energy: -0.013 local terms energy: -64.781724 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -12.653 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -14.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -118.534380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.534380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.534380 (E_RNA) where: Base-Base interactions energy: -75.782 where: short stacking energy: -37.927 Base-Backbone interact. energy: -0.431 local terms energy: -42.320833 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -8.125 flat angles C4'-P-C4' energy: -10.624 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -3.485 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: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -122.660251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.660251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.660251 (E_RNA) where: Base-Base interactions energy: -64.554 where: short stacking energy: -29.144 Base-Backbone interact. energy: -1.095 local terms energy: -57.011000 where: bonds (distance) C4'-P energy: -12.196 bonds (distance) P-C4' energy: -15.331 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -9.848 tors. eta vs tors. theta energy: -5.812 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: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -72.084274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.084274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.084274 (E_RNA) where: Base-Base interactions energy: -24.899 where: short stacking energy: -24.899 Base-Backbone interact. energy: -0.109 local terms energy: -47.076212 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -12.565 flat angles C4'-P-C4' energy: -13.812 flat angles P-C4'-P energy: -7.461 tors. eta vs tors. theta energy: 0.196 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: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -82.713860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.713860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.713860 (E_RNA) where: Base-Base interactions energy: -36.389 where: short stacking energy: -29.480 Base-Backbone interact. energy: -0.254 local terms energy: -46.071255 where: bonds (distance) C4'-P energy: -10.076 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -10.992 flat angles P-C4'-P energy: -4.377 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: 9, replica: 10 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -78.561623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.561623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.561623 (E_RNA) where: Base-Base interactions energy: -23.022 where: short stacking energy: -23.022 Base-Backbone interact. energy: 1.441 local terms energy: -56.980786 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -14.524 flat angles C4'-P-C4' energy: -14.233 flat angles P-C4'-P energy: -11.737 tors. eta vs tors. theta energy: -3.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -87.730049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.730049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.730049 (E_RNA) where: Base-Base interactions energy: -37.587 where: short stacking energy: -28.673 Base-Backbone interact. energy: -0.105 local terms energy: -50.038232 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -11.014 flat angles C4'-P-C4' energy: -10.965 flat angles P-C4'-P energy: -8.941 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -173.454239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.454239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.454239 (E_RNA) where: Base-Base interactions energy: -108.143 where: short stacking energy: -53.142 Base-Backbone interact. energy: -0.412 local terms energy: -64.899095 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -16.344 flat angles P-C4'-P energy: -9.109 tors. eta vs tors. theta energy: -12.333 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: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -174.108710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.108710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.108710 (E_RNA) where: Base-Base interactions energy: -112.254 where: short stacking energy: -50.327 Base-Backbone interact. energy: -0.973 local terms energy: -60.881738 where: bonds (distance) C4'-P energy: -15.546 bonds (distance) P-C4' energy: -12.071 flat angles C4'-P-C4' energy: -12.192 flat angles P-C4'-P energy: -9.109 tors. eta vs tors. theta energy: -11.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -180.067838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.067838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.067838 (E_RNA) where: Base-Base interactions energy: -109.082 where: short stacking energy: -51.778 Base-Backbone interact. energy: -0.265 local terms energy: -70.720800 where: bonds (distance) C4'-P energy: -14.682 bonds (distance) P-C4' energy: -13.640 flat angles C4'-P-C4' energy: -17.287 flat angles P-C4'-P energy: -10.629 tors. eta vs tors. theta energy: -14.482 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: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -167.116057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.116057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.116057 (E_RNA) where: Base-Base interactions energy: -98.456 where: short stacking energy: -51.437 Base-Backbone interact. energy: -0.201 local terms energy: -68.459197 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -15.797 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -15.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -119.690608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.690608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.690608 (E_RNA) where: Base-Base interactions energy: -65.834 where: short stacking energy: -40.522 Base-Backbone interact. energy: -0.243 local terms energy: -53.614080 where: bonds (distance) C4'-P energy: -11.758 bonds (distance) P-C4' energy: -13.993 flat angles C4'-P-C4' energy: -11.393 flat angles P-C4'-P energy: -8.813 tors. eta vs tors. theta energy: -7.657 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: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -86.634234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.634234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.634234 (E_RNA) where: Base-Base interactions energy: -39.902 where: short stacking energy: -28.737 Base-Backbone interact. energy: -0.352 local terms energy: -46.380224 where: bonds (distance) C4'-P energy: -10.571 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -80.554946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.554946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.554946 (E_RNA) where: Base-Base interactions energy: -38.794 where: short stacking energy: -25.988 Base-Backbone interact. energy: -0.219 local terms energy: -41.542335 where: bonds (distance) C4'-P energy: -9.509 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -10.459 flat angles P-C4'-P energy: -5.956 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: 8, replica: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -77.239985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.239985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.239985 (E_RNA) where: Base-Base interactions energy: -30.614 where: short stacking energy: -30.614 Base-Backbone interact. energy: 0.009 local terms energy: -46.634465 where: bonds (distance) C4'-P energy: -11.846 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -9.714 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -75.994413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.994413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.994413 (E_RNA) where: Base-Base interactions energy: -33.738 where: short stacking energy: -33.738 Base-Backbone interact. energy: -0.088 local terms energy: -42.168609 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -7.996 tors. eta vs tors. theta energy: -4.318 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: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -79.798126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.798126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.798126 (E_RNA) where: Base-Base interactions energy: -33.995 where: short stacking energy: -33.627 Base-Backbone interact. energy: -0.241 local terms energy: -45.562913 where: bonds (distance) C4'-P energy: -9.774 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -178.501829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.501829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.501829 (E_RNA) where: Base-Base interactions energy: -117.507 where: short stacking energy: -51.713 Base-Backbone interact. energy: -0.359 local terms energy: -60.635953 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -12.559 flat angles P-C4'-P energy: -11.533 tors. eta vs tors. theta energy: -8.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -177.914311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.914311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.914311 (E_RNA) where: Base-Base interactions energy: -113.660 where: short stacking energy: -42.621 Base-Backbone interact. energy: -0.326 local terms energy: -63.928321 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -11.767 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -12.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -180.198906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.198906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.198906 (E_RNA) where: Base-Base interactions energy: -114.551 where: short stacking energy: -55.958 Base-Backbone interact. energy: -1.934 local terms energy: -63.714498 where: bonds (distance) C4'-P energy: -12.920 bonds (distance) P-C4' energy: -14.444 flat angles C4'-P-C4' energy: -11.923 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -15.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -169.060885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.060885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.060885 (E_RNA) where: Base-Base interactions energy: -105.212 where: short stacking energy: -55.568 Base-Backbone interact. energy: -0.123 local terms energy: -63.725938 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -12.761 flat angles C4'-P-C4' energy: -12.430 flat angles P-C4'-P energy: -9.919 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: 5, replica: 4 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -136.281695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.281695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.281695 (E_RNA) where: Base-Base interactions energy: -78.846 where: short stacking energy: -45.117 Base-Backbone interact. energy: -0.104 local terms energy: -57.331788 where: bonds (distance) C4'-P energy: -11.419 bonds (distance) P-C4' energy: -13.929 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -8.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -100.598123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.598123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.598123 (E_RNA) where: Base-Base interactions energy: -39.584 where: short stacking energy: -37.633 Base-Backbone interact. energy: -0.116 local terms energy: -60.897631 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -7.766 tors. eta vs tors. theta energy: -11.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -78.703501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.703501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.703501 (E_RNA) where: Base-Base interactions energy: -32.288 where: short stacking energy: -28.681 Base-Backbone interact. energy: -0.047 local terms energy: -46.368313 where: bonds (distance) C4'-P energy: -13.074 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -2.897 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: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -70.717207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.717207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.717207 (E_RNA) where: Base-Base interactions energy: -23.083 where: short stacking energy: -22.691 Base-Backbone interact. energy: -0.259 local terms energy: -47.375554 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -10.835 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -7.278 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -110.784556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.784556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.784556 (E_RNA) where: Base-Base interactions energy: -62.365 where: short stacking energy: -32.710 Base-Backbone interact. energy: 0.866 local terms energy: -49.285978 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -11.693 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -6.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -75.988313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.988313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.988313 (E_RNA) where: Base-Base interactions energy: -31.383 where: short stacking energy: -31.383 Base-Backbone interact. energy: -0.065 local terms energy: -44.540224 where: bonds (distance) C4'-P energy: -9.836 bonds (distance) P-C4' energy: -11.811 flat angles C4'-P-C4' energy: -10.845 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -7.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -180.940529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.940529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.940529 (E_RNA) where: Base-Base interactions energy: -112.171 where: short stacking energy: -51.759 Base-Backbone interact. energy: -0.832 local terms energy: -67.937983 where: bonds (distance) C4'-P energy: -10.789 bonds (distance) P-C4' energy: -16.655 flat angles C4'-P-C4' energy: -15.894 flat angles P-C4'-P energy: -9.638 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: 2, replica: 5 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -157.708176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.708176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.708176 (E_RNA) where: Base-Base interactions energy: -96.605 where: short stacking energy: -47.693 Base-Backbone interact. energy: -0.397 local terms energy: -60.705626 where: bonds (distance) C4'-P energy: -11.236 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -11.503 tors. eta vs tors. theta energy: -11.201 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: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -172.243130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.243130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.243130 (E_RNA) where: Base-Base interactions energy: -109.121 where: short stacking energy: -51.851 Base-Backbone interact. energy: -0.534 local terms energy: -62.588330 where: bonds (distance) C4'-P energy: -12.631 bonds (distance) P-C4' energy: -15.659 flat angles C4'-P-C4' energy: -12.290 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -17.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -163.632115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.632115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.632115 (E_RNA) where: Base-Base interactions energy: -97.399 where: short stacking energy: -48.358 Base-Backbone interact. energy: -0.231 local terms energy: -66.001426 where: bonds (distance) C4'-P energy: -14.436 bonds (distance) P-C4' energy: -13.921 flat angles C4'-P-C4' energy: -16.338 flat angles P-C4'-P energy: -11.248 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: 5, replica: 1 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -104.523638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.523638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.523638 (E_RNA) where: Base-Base interactions energy: -39.907 where: short stacking energy: -39.907 Base-Backbone interact. energy: -0.014 local terms energy: -64.602569 where: bonds (distance) C4'-P energy: -13.243 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -10.720 flat angles P-C4'-P energy: -12.521 tors. eta vs tors. theta energy: -12.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -126.341043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.341043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.341043 (E_RNA) where: Base-Base interactions energy: -80.845 where: short stacking energy: -36.129 Base-Backbone interact. energy: -0.122 local terms energy: -45.373280 where: bonds (distance) C4'-P energy: -10.438 bonds (distance) P-C4' energy: -12.254 flat angles C4'-P-C4' energy: -8.758 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -6.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -83.808434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.808434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.808434 (E_RNA) where: Base-Base interactions energy: -28.697 where: short stacking energy: -28.697 Base-Backbone interact. energy: -0.013 local terms energy: -55.098461 where: bonds (distance) C4'-P energy: -14.349 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -11.739 flat angles P-C4'-P energy: -12.534 tors. eta vs tors. theta energy: -3.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -76.494043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.494043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.494043 (E_RNA) where: Base-Base interactions energy: -30.056 where: short stacking energy: -18.924 Base-Backbone interact. energy: -0.883 local terms energy: -45.554908 where: bonds (distance) C4'-P energy: -10.255 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -10.290 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: 9, replica: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -77.053490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.053490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.053490 (E_RNA) where: Base-Base interactions energy: -28.167 where: short stacking energy: -23.032 Base-Backbone interact. energy: -0.268 local terms energy: -48.618501 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -10.088 flat angles P-C4'-P energy: -6.582 tors. eta vs tors. theta energy: -3.570 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: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -67.533222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.533222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.533222 (E_RNA) where: Base-Base interactions energy: -20.150 where: short stacking energy: -7.388 Base-Backbone interact. energy: -1.597 local terms energy: -45.785976 where: bonds (distance) C4'-P energy: -10.032 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -12.031 tors. eta vs tors. theta energy: 4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -181.275825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.275825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.275825 (E_RNA) where: Base-Base interactions energy: -110.144 where: short stacking energy: -57.832 Base-Backbone interact. energy: -0.610 local terms energy: -70.521857 where: bonds (distance) C4'-P energy: -15.483 bonds (distance) P-C4' energy: -13.456 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -20.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -179.485033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.485033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.485033 (E_RNA) where: Base-Base interactions energy: -108.832 where: short stacking energy: -58.272 Base-Backbone interact. energy: -0.722 local terms energy: -69.931270 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -15.261 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -16.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -154.436931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.436931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.436931 (E_RNA) where: Base-Base interactions energy: -95.357 where: short stacking energy: -49.630 Base-Backbone interact. energy: -0.329 local terms energy: -58.750888 where: bonds (distance) C4'-P energy: -14.077 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -10.778 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: 4, replica: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -152.382348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.382348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.382348 (E_RNA) where: Base-Base interactions energy: -91.038 where: short stacking energy: -48.430 Base-Backbone interact. energy: -0.229 local terms energy: -61.115118 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -14.477 flat angles C4'-P-C4' energy: -13.764 flat angles P-C4'-P energy: -7.102 tors. eta vs tors. theta energy: -11.754 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: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -85.521552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.521552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.521552 (E_RNA) where: Base-Base interactions energy: -30.589 where: short stacking energy: -23.560 Base-Backbone interact. energy: -0.043 local terms energy: -54.889210 where: bonds (distance) C4'-P energy: -14.060 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -9.888 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -99.971054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.971054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.971054 (E_RNA) where: Base-Base interactions energy: -42.320 where: short stacking energy: -33.421 Base-Backbone interact. energy: -0.072 local terms energy: -57.578601 where: bonds (distance) C4'-P energy: -13.336 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -15.251 flat angles P-C4'-P energy: -7.586 tors. eta vs tors. theta energy: -5.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -92.003861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.003861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.003861 (E_RNA) where: Base-Base interactions energy: -44.213 where: short stacking energy: -29.047 Base-Backbone interact. energy: -0.146 local terms energy: -47.644628 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -12.837 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -5.445 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: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -78.546790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.546790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.546790 (E_RNA) where: Base-Base interactions energy: -30.602 where: short stacking energy: -21.988 Base-Backbone interact. energy: 0.122 local terms energy: -48.066603 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -10.105 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -9.680 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -75.033947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.033947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.033947 (E_RNA) where: Base-Base interactions energy: -34.316 where: short stacking energy: -34.316 Base-Backbone interact. energy: -0.169 local terms energy: -40.548854 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -10.356 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -5.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -67.975434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.975434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.975434 (E_RNA) where: Base-Base interactions energy: -19.577 where: short stacking energy: -18.706 Base-Backbone interact. energy: -0.103 local terms energy: -48.295906 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -15.562 flat angles C4'-P-C4' energy: -13.103 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -1.843 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: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -170.334906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.334906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.334906 (E_RNA) where: Base-Base interactions energy: -100.216 where: short stacking energy: -57.391 Base-Backbone interact. energy: -0.514 local terms energy: -69.605061 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -13.837 flat angles P-C4'-P energy: -10.680 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: 2, replica: 2 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -176.304416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.304416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.304416 (E_RNA) where: Base-Base interactions energy: -108.781 where: short stacking energy: -51.904 Base-Backbone interact. energy: -0.450 local terms energy: -67.073372 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -11.514 flat angles P-C4'-P energy: -12.634 tors. eta vs tors. theta energy: -15.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -170.881514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.881514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.881514 (E_RNA) where: Base-Base interactions energy: -106.939 where: short stacking energy: -52.093 Base-Backbone interact. energy: -0.278 local terms energy: -63.665289 where: bonds (distance) C4'-P energy: -15.831 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -11.621 flat angles P-C4'-P energy: -6.221 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: 5 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -155.287152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.287152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.287152 (E_RNA) where: Base-Base interactions energy: -98.751 where: short stacking energy: -40.497 Base-Backbone interact. energy: -0.607 local terms energy: -55.929233 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -11.698 flat angles C4'-P-C4' energy: -8.946 flat angles P-C4'-P energy: -10.738 tors. eta vs tors. theta energy: -9.340 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: 5, replica: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -103.240883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.240883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.240883 (E_RNA) where: Base-Base interactions energy: -52.142 where: short stacking energy: -29.002 Base-Backbone interact. energy: -0.602 local terms energy: -50.496194 where: bonds (distance) C4'-P energy: -14.288 bonds (distance) P-C4' energy: -16.106 flat angles C4'-P-C4' energy: -11.996 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -87.779305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.779305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.779305 (E_RNA) where: Base-Base interactions energy: -31.378 where: short stacking energy: -31.378 Base-Backbone interact. energy: -0.009 local terms energy: -56.392140 where: bonds (distance) C4'-P energy: -15.343 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -10.021 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -8.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -81.157902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.157902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.157902 (E_RNA) where: Base-Base interactions energy: -35.805 where: short stacking energy: -18.668 Base-Backbone interact. energy: -0.089 local terms energy: -45.264462 where: bonds (distance) C4'-P energy: -13.550 bonds (distance) P-C4' energy: -10.134 flat angles C4'-P-C4' energy: -9.164 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: -3.680 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: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -72.204237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.204237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.204237 (E_RNA) where: Base-Base interactions energy: -22.195 where: short stacking energy: -21.315 Base-Backbone interact. energy: -0.032 local terms energy: -49.977268 where: bonds (distance) C4'-P energy: -14.689 bonds (distance) P-C4' energy: -15.281 flat angles C4'-P-C4' energy: -12.003 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -79.551713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.551713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.551713 (E_RNA) where: Base-Base interactions energy: -36.737 where: short stacking energy: -27.412 Base-Backbone interact. energy: -0.009 local terms energy: -42.805423 where: bonds (distance) C4'-P energy: -12.781 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -2.610 tors. eta vs tors. theta energy: -7.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -75.472371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.472371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.472371 (E_RNA) where: Base-Base interactions energy: -24.770 where: short stacking energy: -24.770 Base-Backbone interact. energy: -0.067 local terms energy: -50.635110 where: bonds (distance) C4'-P energy: -10.172 bonds (distance) P-C4' energy: -15.805 flat angles C4'-P-C4' energy: -15.945 flat angles P-C4'-P energy: -6.345 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -171.685586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.685586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.685586 (E_RNA) where: Base-Base interactions energy: -103.820 where: short stacking energy: -54.074 Base-Backbone interact. energy: -0.086 local terms energy: -67.779556 where: bonds (distance) C4'-P energy: -13.638 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -13.621 flat angles P-C4'-P energy: -8.991 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: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -174.663424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.663424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.663424 (E_RNA) where: Base-Base interactions energy: -104.265 where: short stacking energy: -59.393 Base-Backbone interact. energy: -0.574 local terms energy: -69.823791 where: bonds (distance) C4'-P energy: -12.164 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -14.950 flat angles P-C4'-P energy: -10.026 tors. eta vs tors. theta energy: -19.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -180.308946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.308946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.308946 (E_RNA) where: Base-Base interactions energy: -114.796 where: short stacking energy: -58.726 Base-Backbone interact. energy: -0.074 local terms energy: -65.438099 where: bonds (distance) C4'-P energy: -12.933 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -15.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -141.956532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.956532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.956532 (E_RNA) where: Base-Base interactions energy: -86.382 where: short stacking energy: -45.134 Base-Backbone interact. energy: -0.192 local terms energy: -55.382039 where: bonds (distance) C4'-P energy: -12.528 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -12.265 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -8.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -109.989120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.989120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.989120 (E_RNA) where: Base-Base interactions energy: -60.852 where: short stacking energy: -37.956 Base-Backbone interact. energy: 0.323 local terms energy: -49.459659 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -3.813 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: 8 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -101.898289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.898289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.898289 (E_RNA) where: Base-Base interactions energy: -47.347 where: short stacking energy: -31.378 Base-Backbone interact. energy: -0.085 local terms energy: -54.466748 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -83.884381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.884381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.884381 (E_RNA) where: Base-Base interactions energy: -34.216 where: short stacking energy: -28.635 Base-Backbone interact. energy: -0.044 local terms energy: -49.624915 where: bonds (distance) C4'-P energy: -10.776 bonds (distance) P-C4' energy: -15.591 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -6.431 tors. eta vs tors. theta energy: -4.671 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: 243 Temperature: 1.250000 Total energy: -76.383560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.383560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.383560 (E_RNA) where: Base-Base interactions energy: -31.622 where: short stacking energy: -21.897 Base-Backbone interact. energy: -0.059 local terms energy: -44.702060 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -13.431 flat angles C4'-P-C4' energy: -13.027 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -4.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -74.225906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.225906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.225906 (E_RNA) where: Base-Base interactions energy: -21.220 where: short stacking energy: -18.152 Base-Backbone interact. energy: -0.028 local terms energy: -52.977797 where: bonds (distance) C4'-P energy: -13.678 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -12.969 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -6.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -78.059446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.059446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.059446 (E_RNA) where: Base-Base interactions energy: -32.748 where: short stacking energy: -30.435 Base-Backbone interact. energy: 0.849 local terms energy: -46.159631 where: bonds (distance) C4'-P energy: -11.092 bonds (distance) P-C4' energy: -13.201 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -7.708 tors. eta vs tors. theta energy: -0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -189.880761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.880761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.880761 (E_RNA) where: Base-Base interactions energy: -124.758 where: short stacking energy: -61.290 Base-Backbone interact. energy: -0.629 local terms energy: -64.494016 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -14.091 flat angles C4'-P-C4' energy: -16.584 flat angles P-C4'-P energy: -6.174 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: 2, replica: 2 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -174.450256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.450256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.450256 (E_RNA) where: Base-Base interactions energy: -103.647 where: short stacking energy: -54.114 Base-Backbone interact. energy: -1.143 local terms energy: -69.660605 where: bonds (distance) C4'-P energy: -16.134 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -12.263 flat angles P-C4'-P energy: -6.986 tors. eta vs tors. theta energy: -20.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -168.744844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.744844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.744844 (E_RNA) where: Base-Base interactions energy: -106.589 where: short stacking energy: -52.652 Base-Backbone interact. energy: -0.713 local terms energy: -61.442111 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -15.453 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: -13.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -134.940907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.940907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.940907 (E_RNA) where: Base-Base interactions energy: -80.214 where: short stacking energy: -38.622 Base-Backbone interact. energy: 0.826 local terms energy: -55.552408 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -8.247 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: 5, replica: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -106.060874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.060874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.060874 (E_RNA) where: Base-Base interactions energy: -63.542 where: short stacking energy: -36.579 Base-Backbone interact. energy: -0.080 local terms energy: -42.438692 where: bonds (distance) C4'-P energy: -10.699 bonds (distance) P-C4' energy: -11.062 flat angles C4'-P-C4' energy: -10.464 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -6.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -99.685697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.685697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.685697 (E_RNA) where: Base-Base interactions energy: -49.057 where: short stacking energy: -31.012 Base-Backbone interact. energy: -0.032 local terms energy: -50.596942 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -9.283 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -6.668 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: 7 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -80.443141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.443141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.443141 (E_RNA) where: Base-Base interactions energy: -36.947 where: short stacking energy: -27.441 Base-Backbone interact. energy: -0.012 local terms energy: -43.483459 where: bonds (distance) C4'-P energy: -12.441 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -93.944684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.944684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.944684 (E_RNA) where: Base-Base interactions energy: -42.548 where: short stacking energy: -29.160 Base-Backbone interact. energy: -0.102 local terms energy: -51.294613 where: bonds (distance) C4'-P energy: -12.144 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -11.509 flat angles P-C4'-P energy: -6.823 tors. eta vs tors. theta energy: -5.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -69.758903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.758903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.758903 (E_RNA) where: Base-Base interactions energy: -26.056 where: short stacking energy: -23.941 Base-Backbone interact. energy: -0.543 local terms energy: -43.159417 where: bonds (distance) C4'-P energy: -12.740 bonds (distance) P-C4' energy: -15.196 flat angles C4'-P-C4' energy: -11.007 flat angles P-C4'-P energy: -6.288 tors. eta vs tors. theta energy: 2.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -68.971959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.971959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.971959 (E_RNA) where: Base-Base interactions energy: -29.338 where: short stacking energy: -29.338 Base-Backbone interact. energy: -0.052 local terms energy: -39.581561 where: bonds (distance) C4'-P energy: -11.096 bonds (distance) P-C4' energy: -10.574 flat angles C4'-P-C4' energy: -9.961 flat angles P-C4'-P energy: -5.249 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: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -192.282880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.282880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.282880 (E_RNA) where: Base-Base interactions energy: -124.632 where: short stacking energy: -56.376 Base-Backbone interact. energy: 0.485 local terms energy: -68.135446 where: bonds (distance) C4'-P energy: -11.911 bonds (distance) P-C4' energy: -14.218 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -11.781 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: 2, replica: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -175.870858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.870858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.870858 (E_RNA) where: Base-Base interactions energy: -112.094 where: short stacking energy: -54.643 Base-Backbone interact. energy: 0.187 local terms energy: -63.963959 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -15.558 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -14.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -177.700535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.700535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.700535 (E_RNA) where: Base-Base interactions energy: -108.692 where: short stacking energy: -57.012 Base-Backbone interact. energy: 0.114 local terms energy: -69.122620 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -10.798 tors. eta vs tors. theta energy: -16.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -145.566939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.566939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.566939 (E_RNA) where: Base-Base interactions energy: -78.548 where: short stacking energy: -47.535 Base-Backbone interact. energy: -0.069 local terms energy: -66.949757 where: bonds (distance) C4'-P energy: -14.539 bonds (distance) P-C4' energy: -14.276 flat angles C4'-P-C4' energy: -14.194 flat angles P-C4'-P energy: -9.736 tors. eta vs tors. theta energy: -14.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -87.923189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.923189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.923189 (E_RNA) where: Base-Base interactions energy: -33.882 where: short stacking energy: -32.343 Base-Backbone interact. energy: -0.018 local terms energy: -54.022970 where: bonds (distance) C4'-P energy: -12.488 bonds (distance) P-C4' energy: -12.329 flat angles C4'-P-C4' energy: -11.298 flat angles P-C4'-P energy: -8.127 tors. eta vs tors. theta energy: -9.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -95.155896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.155896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.155896 (E_RNA) where: Base-Base interactions energy: -41.461 where: short stacking energy: -36.472 Base-Backbone interact. energy: -0.827 local terms energy: -52.868254 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -10.726 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -79.078819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.078819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.078819 (E_RNA) where: Base-Base interactions energy: -40.098 where: short stacking energy: -23.573 Base-Backbone interact. energy: -0.254 local terms energy: -38.727071 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -10.631 flat angles C4'-P-C4' energy: -10.163 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -77.113857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.113857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.113857 (E_RNA) where: Base-Base interactions energy: -21.827 where: short stacking energy: -21.827 Base-Backbone interact. energy: -0.189 local terms energy: -55.098291 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -13.890 flat angles P-C4'-P energy: -10.275 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: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -66.581970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.581970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.581970 (E_RNA) where: Base-Base interactions energy: -25.465 where: short stacking energy: -20.919 Base-Backbone interact. energy: -0.182 local terms energy: -40.934476 where: bonds (distance) C4'-P energy: -13.253 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -12.245 flat angles P-C4'-P energy: -6.902 tors. eta vs tors. theta energy: 4.444 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: 10, replica: 6 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -69.024519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.024519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.024519 (E_RNA) where: Base-Base interactions energy: -26.676 where: short stacking energy: -22.701 Base-Backbone interact. energy: 1.559 local terms energy: -43.907817 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -12.364 flat angles C4'-P-C4' energy: -8.661 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: -1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -176.216207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.216207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.216207 (E_RNA) where: Base-Base interactions energy: -103.479 where: short stacking energy: -55.443 Base-Backbone interact. energy: -0.790 local terms energy: -71.948036 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -14.757 flat angles P-C4'-P energy: -9.529 tors. eta vs tors. theta energy: -19.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -189.839636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.839636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.839636 (E_RNA) where: Base-Base interactions energy: -123.502 where: short stacking energy: -51.181 Base-Backbone interact. energy: -0.384 local terms energy: -65.953822 where: bonds (distance) C4'-P energy: -13.878 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -14.650 flat angles P-C4'-P energy: -8.959 tors. eta vs tors. theta energy: -15.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -149.939233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.939233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.939233 (E_RNA) where: Base-Base interactions energy: -84.994 where: short stacking energy: -48.603 Base-Backbone interact. energy: -0.008 local terms energy: -64.936739 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -11.605 tors. eta vs tors. theta energy: -11.649 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: 2 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -175.740785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.740785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.740785 (E_RNA) where: Base-Base interactions energy: -110.937 where: short stacking energy: -60.711 Base-Backbone interact. energy: -0.005 local terms energy: -64.798558 where: bonds (distance) C4'-P energy: -12.512 bonds (distance) P-C4' energy: -12.365 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -16.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -91.508335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.508335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.508335 (E_RNA) where: Base-Base interactions energy: -41.952 where: short stacking energy: -34.015 Base-Backbone interact. energy: -0.288 local terms energy: -49.268349 where: bonds (distance) C4'-P energy: -14.287 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -3.986 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: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -94.825967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.825967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.825967 (E_RNA) where: Base-Base interactions energy: -43.546 where: short stacking energy: -43.546 Base-Backbone interact. energy: -0.602 local terms energy: -50.678110 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -10.366 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -8.796 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -95.088908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.088908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.088908 (E_RNA) where: Base-Base interactions energy: -45.633 where: short stacking energy: -30.321 Base-Backbone interact. energy: 1.922 local terms energy: -51.377597 where: bonds (distance) C4'-P energy: -13.898 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -13.219 flat angles P-C4'-P energy: -2.103 tors. eta vs tors. theta energy: -5.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -83.400192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.400192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.400192 (E_RNA) where: Base-Base interactions energy: -30.706 where: short stacking energy: -29.871 Base-Backbone interact. energy: -0.064 local terms energy: -52.630867 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -14.056 flat angles C4'-P-C4' energy: -15.165 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -4.232 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: 246 Temperature: 1.300000 Total energy: -80.816257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.816257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.816257 (E_RNA) where: Base-Base interactions energy: -29.842 where: short stacking energy: -26.142 Base-Backbone interact. energy: -0.023 local terms energy: -50.951074 where: bonds (distance) C4'-P energy: -15.534 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -3.723 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: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -66.228496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.228496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.228496 (E_RNA) where: Base-Base interactions energy: -31.275 where: short stacking energy: -29.823 Base-Backbone interact. energy: -0.176 local terms energy: -34.777666 where: bonds (distance) C4'-P energy: -3.017 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -11.763 flat angles P-C4'-P energy: -10.409 tors. eta vs tors. theta energy: -1.021 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: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -174.295683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.295683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.295683 (E_RNA) where: Base-Base interactions energy: -109.419 where: short stacking energy: -56.803 Base-Backbone interact. energy: -0.593 local terms energy: -64.283926 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -16.340 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -13.897 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: 247 Temperature: 0.950000 Total energy: -176.963735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.963735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.963735 (E_RNA) where: Base-Base interactions energy: -118.274 where: short stacking energy: -40.886 Base-Backbone interact. energy: -1.438 local terms energy: -57.251628 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -11.968 flat angles P-C4'-P energy: -8.993 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: 3, replica: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -144.122240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.122240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.122240 (E_RNA) where: Base-Base interactions energy: -83.300 where: short stacking energy: -43.078 Base-Backbone interact. energy: -0.185 local terms energy: -60.637282 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -16.405 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -9.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -165.777685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.777685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.777685 (E_RNA) where: Base-Base interactions energy: -102.628 where: short stacking energy: -50.514 Base-Backbone interact. energy: -0.431 local terms energy: -62.718368 where: bonds (distance) C4'-P energy: -11.676 bonds (distance) P-C4' energy: -12.635 flat angles C4'-P-C4' energy: -16.361 flat angles P-C4'-P energy: -11.232 tors. eta vs tors. theta energy: -10.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -95.555508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.555508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.555508 (E_RNA) where: Base-Base interactions energy: -46.491 where: short stacking energy: -34.733 Base-Backbone interact. energy: -0.403 local terms energy: -48.661954 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -10.957 flat angles P-C4'-P energy: -6.200 tors. eta vs tors. theta energy: -4.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -77.310054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.310054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.310054 (E_RNA) where: Base-Base interactions energy: -26.681 where: short stacking energy: -22.224 Base-Backbone interact. energy: -0.308 local terms energy: -50.321295 where: bonds (distance) C4'-P energy: -15.902 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -10.096 flat angles P-C4'-P energy: -8.951 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -92.090754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.090754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.090754 (E_RNA) where: Base-Base interactions energy: -46.532 where: short stacking energy: -29.770 Base-Backbone interact. energy: -0.068 local terms energy: -45.490265 where: bonds (distance) C4'-P energy: -10.628 bonds (distance) P-C4' energy: -11.738 flat angles C4'-P-C4' energy: -12.967 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -73.356433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.356433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.356433 (E_RNA) where: Base-Base interactions energy: -21.484 where: short stacking energy: -14.209 Base-Backbone interact. energy: -0.055 local terms energy: -51.817271 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -7.046 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: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -82.853054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.853054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.853054 (E_RNA) where: Base-Base interactions energy: -38.264 where: short stacking energy: -33.393 Base-Backbone interact. energy: -0.220 local terms energy: -44.369355 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -9.656 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -3.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -68.015531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.015531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.015531 (E_RNA) where: Base-Base interactions energy: -22.667 where: short stacking energy: -22.667 Base-Backbone interact. energy: -0.123 local terms energy: -45.225304 where: bonds (distance) C4'-P energy: -9.955 bonds (distance) P-C4' energy: -14.469 flat angles C4'-P-C4' energy: -9.822 flat angles P-C4'-P energy: -6.844 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: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -174.332360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.332360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.332360 (E_RNA) where: Base-Base interactions energy: -118.826 where: short stacking energy: -46.593 Base-Backbone interact. energy: -1.150 local terms energy: -54.356597 where: bonds (distance) C4'-P energy: -14.317 bonds (distance) P-C4' energy: -11.013 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -7.259 tors. eta vs tors. theta energy: -7.138 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: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -178.399578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.399578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.399578 (E_RNA) where: Base-Base interactions energy: -120.244 where: short stacking energy: -63.396 Base-Backbone interact. energy: -0.006 local terms energy: -58.150164 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -12.780 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -7.004 tors. eta vs tors. theta energy: -15.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -169.137958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.137958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.137958 (E_RNA) where: Base-Base interactions energy: -105.670 where: short stacking energy: -47.836 Base-Backbone interact. energy: -0.088 local terms energy: -63.379872 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -15.905 flat angles P-C4'-P energy: -8.180 tors. eta vs tors. theta energy: -11.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -140.206938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.206938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.206938 (E_RNA) where: Base-Base interactions energy: -79.908 where: short stacking energy: -46.466 Base-Backbone interact. energy: -0.258 local terms energy: -60.040292 where: bonds (distance) C4'-P energy: -13.080 bonds (distance) P-C4' energy: -9.172 flat angles C4'-P-C4' energy: -14.195 flat angles P-C4'-P energy: -11.588 tors. eta vs tors. theta energy: -12.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -105.754888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.754888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.754888 (E_RNA) where: Base-Base interactions energy: -58.515 where: short stacking energy: -28.540 Base-Backbone interact. energy: -0.905 local terms energy: -46.334944 where: bonds (distance) C4'-P energy: -7.553 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -11.039 flat angles P-C4'-P energy: -7.391 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: 6, replica: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -118.837884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.837884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.837884 (E_RNA) where: Base-Base interactions energy: -64.774 where: short stacking energy: -34.501 Base-Backbone interact. energy: -0.052 local terms energy: -54.010983 where: bonds (distance) C4'-P energy: -13.062 bonds (distance) P-C4' energy: -11.994 flat angles C4'-P-C4' energy: -14.159 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -10.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -80.701562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.701562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.701562 (E_RNA) where: Base-Base interactions energy: -27.604 where: short stacking energy: -26.463 Base-Backbone interact. energy: -0.102 local terms energy: -52.995487 where: bonds (distance) C4'-P energy: -13.909 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -7.044 flat angles P-C4'-P energy: -11.542 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -78.353913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.353913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.353913 (E_RNA) where: Base-Base interactions energy: -33.135 where: short stacking energy: -28.077 Base-Backbone interact. energy: -0.913 local terms energy: -44.306115 where: bonds (distance) C4'-P energy: -10.115 bonds (distance) P-C4' energy: -11.720 flat angles C4'-P-C4' energy: -11.018 flat angles P-C4'-P energy: -7.954 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -77.615211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.615211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.615211 (E_RNA) where: Base-Base interactions energy: -30.795 where: short stacking energy: -30.795 Base-Backbone interact. energy: -0.013 local terms energy: -46.806875 where: bonds (distance) C4'-P energy: -10.761 bonds (distance) P-C4' energy: -8.299 flat angles C4'-P-C4' energy: -10.851 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -7.225 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: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -64.873411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.873411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.873411 (E_RNA) where: Base-Base interactions energy: -22.678 where: short stacking energy: -15.380 Base-Backbone interact. energy: -0.161 local terms energy: -42.034427 where: bonds (distance) C4'-P energy: -13.633 bonds (distance) P-C4' energy: -7.201 flat angles C4'-P-C4' energy: -10.563 flat angles P-C4'-P energy: -8.602 tors. eta vs tors. theta energy: -2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -180.564000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.564000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.564000 (E_RNA) where: Base-Base interactions energy: -112.279 where: short stacking energy: -53.075 Base-Backbone interact. energy: -0.170 local terms energy: -68.115371 where: bonds (distance) C4'-P energy: -14.597 bonds (distance) P-C4' energy: -11.702 flat angles C4'-P-C4' energy: -16.715 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -13.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -182.944535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.944535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.944535 (E_RNA) where: Base-Base interactions energy: -118.071 where: short stacking energy: -60.119 Base-Backbone interact. energy: -0.001 local terms energy: -64.872118 where: bonds (distance) C4'-P energy: -11.121 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: -16.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -179.354900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.354900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.354900 (E_RNA) where: Base-Base interactions energy: -111.291 where: short stacking energy: -59.163 Base-Backbone interact. energy: -0.032 local terms energy: -68.031390 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -15.828 flat angles P-C4'-P energy: -7.593 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: 4, replica: 5 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -136.741929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.741929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.741929 (E_RNA) where: Base-Base interactions energy: -73.685 where: short stacking energy: -45.720 Base-Backbone interact. energy: -0.016 local terms energy: -63.041547 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -15.830 flat angles C4'-P-C4' energy: -13.793 flat angles P-C4'-P energy: -9.322 tors. eta vs tors. theta energy: -9.450 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: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -91.457305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.457305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.457305 (E_RNA) where: Base-Base interactions energy: -46.572 where: short stacking energy: -22.198 Base-Backbone interact. energy: -0.092 local terms energy: -44.792839 where: bonds (distance) C4'-P energy: -12.888 bonds (distance) P-C4' energy: -13.696 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -6.569 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: 6, replica: 7 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -97.193526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.193526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.193526 (E_RNA) where: Base-Base interactions energy: -39.290 where: short stacking energy: -36.748 Base-Backbone interact. energy: 2.947 local terms energy: -60.851114 where: bonds (distance) C4'-P energy: -16.084 bonds (distance) P-C4' energy: -15.898 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -9.603 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: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -85.323280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.323280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.323280 (E_RNA) where: Base-Base interactions energy: -33.201 where: short stacking energy: -32.478 Base-Backbone interact. energy: -0.008 local terms energy: -52.114535 where: bonds (distance) C4'-P energy: -14.125 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -14.334 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -5.447 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: 4 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -79.302152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.302152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.302152 (E_RNA) where: Base-Base interactions energy: -34.540 where: short stacking energy: -28.648 Base-Backbone interact. energy: -0.034 local terms energy: -44.728137 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -11.682 flat angles P-C4'-P energy: -4.632 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: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -82.250349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.250349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.250349 (E_RNA) where: Base-Base interactions energy: -33.711 where: short stacking energy: -32.736 Base-Backbone interact. energy: -0.032 local terms energy: -48.507384 where: bonds (distance) C4'-P energy: -8.798 bonds (distance) P-C4' energy: -10.263 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -75.054849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.054849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.054849 (E_RNA) where: Base-Base interactions energy: -36.325 where: short stacking energy: -22.999 Base-Backbone interact. energy: -0.298 local terms energy: -38.431096 where: bonds (distance) C4'-P energy: -4.045 bonds (distance) P-C4' energy: -11.695 flat angles C4'-P-C4' energy: -14.255 flat angles P-C4'-P energy: -7.491 tors. eta vs tors. theta energy: -0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -191.299250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.299250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.299250 (E_RNA) where: Base-Base interactions energy: -117.795 where: short stacking energy: -57.827 Base-Backbone interact. energy: -0.002 local terms energy: -73.501857 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -16.314 flat angles P-C4'-P energy: -13.092 tors. eta vs tors. theta energy: -15.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -170.393025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.393025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.393025 (E_RNA) where: Base-Base interactions energy: -109.146 where: short stacking energy: -53.613 Base-Backbone interact. energy: -0.339 local terms energy: -60.908176 where: bonds (distance) C4'-P energy: -9.196 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -9.858 tors. eta vs tors. theta energy: -14.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -157.622501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.622501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.622501 (E_RNA) where: Base-Base interactions energy: -92.489 where: short stacking energy: -48.827 Base-Backbone interact. energy: -0.319 local terms energy: -64.813835 where: bonds (distance) C4'-P energy: -14.883 bonds (distance) P-C4' energy: -11.201 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -10.322 tors. eta vs tors. theta energy: -13.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -139.492100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.492100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.492100 (E_RNA) where: Base-Base interactions energy: -78.932 where: short stacking energy: -50.744 Base-Backbone interact. energy: -0.037 local terms energy: -60.523832 where: bonds (distance) C4'-P energy: -14.062 bonds (distance) P-C4' energy: -10.821 flat angles C4'-P-C4' energy: -12.935 flat angles P-C4'-P energy: -11.520 tors. eta vs tors. theta energy: -11.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -100.049051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.049051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.049051 (E_RNA) where: Base-Base interactions energy: -49.489 where: short stacking energy: -33.163 Base-Backbone interact. energy: -0.414 local terms energy: -50.146820 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -13.522 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -98.829415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.829415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.829415 (E_RNA) where: Base-Base interactions energy: -47.780 where: short stacking energy: -47.780 Base-Backbone interact. energy: -0.001 local terms energy: -51.048662 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -9.093 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -12.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -91.081061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.081061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.081061 (E_RNA) where: Base-Base interactions energy: -37.666 where: short stacking energy: -37.666 Base-Backbone interact. energy: -0.007 local terms energy: -53.408452 where: bonds (distance) C4'-P energy: -14.159 bonds (distance) P-C4' energy: -11.246 flat angles C4'-P-C4' energy: -17.470 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -5.898 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: 8, replica: 6 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -84.194892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.194892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.194892 (E_RNA) where: Base-Base interactions energy: -33.511 where: short stacking energy: -26.808 Base-Backbone interact. energy: -0.144 local terms energy: -50.539770 where: bonds (distance) C4'-P energy: -9.676 bonds (distance) P-C4' energy: -12.389 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -8.425 tors. eta vs tors. theta energy: -6.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -76.857914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.857914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.857914 (E_RNA) where: Base-Base interactions energy: -28.197 where: short stacking energy: -27.828 Base-Backbone interact. energy: -0.852 local terms energy: -47.808528 where: bonds (distance) C4'-P energy: -12.652 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -12.082 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: -5.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -71.956487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.956487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.956487 (E_RNA) where: Base-Base interactions energy: -29.051 where: short stacking energy: -29.019 Base-Backbone interact. energy: -0.026 local terms energy: -42.879265 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -12.673 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -7.475 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: 1, replica: 9 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -181.881625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.881625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.881625 (E_RNA) where: Base-Base interactions energy: -110.998 where: short stacking energy: -56.950 Base-Backbone interact. energy: -0.037 local terms energy: -70.847342 where: bonds (distance) C4'-P energy: -15.232 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -15.873 flat angles P-C4'-P energy: -11.174 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: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -180.994060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.994060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.994060 (E_RNA) where: Base-Base interactions energy: -117.359 where: short stacking energy: -54.658 Base-Backbone interact. energy: -0.478 local terms energy: -63.157749 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -10.896 flat angles P-C4'-P energy: -10.030 tors. eta vs tors. theta energy: -15.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -165.594064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.594064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.594064 (E_RNA) where: Base-Base interactions energy: -107.410 where: short stacking energy: -48.400 Base-Backbone interact. energy: -0.390 local terms energy: -57.794047 where: bonds (distance) C4'-P energy: -13.734 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -8.382 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -13.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -142.690020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.690020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.690020 (E_RNA) where: Base-Base interactions energy: -87.549 where: short stacking energy: -40.633 Base-Backbone interact. energy: -0.220 local terms energy: -54.921072 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -14.574 flat angles C4'-P-C4' energy: -9.025 flat angles P-C4'-P energy: -8.700 tors. eta vs tors. theta energy: -9.738 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: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -95.802950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.802950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.802950 (E_RNA) where: Base-Base interactions energy: -45.418 where: short stacking energy: -35.821 Base-Backbone interact. energy: -0.101 local terms energy: -50.283796 where: bonds (distance) C4'-P energy: -12.557 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: -5.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -114.883183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.883183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.883183 (E_RNA) where: Base-Base interactions energy: -59.872 where: short stacking energy: -35.054 Base-Backbone interact. energy: -0.466 local terms energy: -54.545340 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -11.173 flat angles P-C4'-P energy: -7.819 tors. eta vs tors. theta energy: -8.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -79.111515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.111515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.111515 (E_RNA) where: Base-Base interactions energy: -31.001 where: short stacking energy: -31.001 Base-Backbone interact. energy: -0.134 local terms energy: -47.976132 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -11.771 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -7.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -75.312550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.312550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.312550 (E_RNA) where: Base-Base interactions energy: -31.647 where: short stacking energy: -31.075 Base-Backbone interact. energy: -0.059 local terms energy: -43.606859 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -8.756 flat angles C4'-P-C4' energy: -13.556 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -3.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -77.319325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.319325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.319325 (E_RNA) where: Base-Base interactions energy: -37.686 where: short stacking energy: -25.953 Base-Backbone interact. energy: -0.225 local terms energy: -39.409069 where: bonds (distance) C4'-P energy: -9.790 bonds (distance) P-C4' energy: -8.083 flat angles C4'-P-C4' energy: -10.671 flat angles P-C4'-P energy: -9.721 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: 10, replica: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -72.231890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.231890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.231890 (E_RNA) where: Base-Base interactions energy: -25.720 where: short stacking energy: -24.983 Base-Backbone interact. energy: -0.076 local terms energy: -46.436497 where: bonds (distance) C4'-P energy: -11.554 bonds (distance) P-C4' energy: -10.638 flat angles C4'-P-C4' energy: -9.501 flat angles P-C4'-P energy: -9.758 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -186.743686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.743686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.743686 (E_RNA) where: Base-Base interactions energy: -120.232 where: short stacking energy: -48.682 Base-Backbone interact. energy: -0.357 local terms energy: -66.154414 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -14.904 flat angles C4'-P-C4' energy: -13.978 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -14.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -169.975364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.975364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.975364 (E_RNA) where: Base-Base interactions energy: -107.014 where: short stacking energy: -52.016 Base-Backbone interact. energy: -0.105 local terms energy: -62.855578 where: bonds (distance) C4'-P energy: -13.274 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -13.816 flat angles P-C4'-P energy: -11.056 tors. eta vs tors. theta energy: -10.467 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: 252 Temperature: 1.000000 Total energy: -164.966829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.966829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.966829 (E_RNA) where: Base-Base interactions energy: -104.641 where: short stacking energy: -46.808 Base-Backbone interact. energy: 0.471 local terms energy: -60.796435 where: bonds (distance) C4'-P energy: -15.335 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -13.518 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -10.735 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: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -157.563504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.563504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.563504 (E_RNA) where: Base-Base interactions energy: -93.838 where: short stacking energy: -42.625 Base-Backbone interact. energy: -0.011 local terms energy: -63.715150 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -10.854 tors. eta vs tors. theta energy: -12.306 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: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -98.272874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.272874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.272874 (E_RNA) where: Base-Base interactions energy: -46.062 where: short stacking energy: -36.538 Base-Backbone interact. energy: -0.269 local terms energy: -51.941625 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -15.268 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -4.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -91.555168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.555168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.555168 (E_RNA) where: Base-Base interactions energy: -40.964 where: short stacking energy: -31.934 Base-Backbone interact. energy: -0.137 local terms energy: -50.453615 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -16.223 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -75.342353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.342353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.342353 (E_RNA) where: Base-Base interactions energy: -22.694 where: short stacking energy: -13.795 Base-Backbone interact. energy: -0.261 local terms energy: -52.387500 where: bonds (distance) C4'-P energy: -11.398 bonds (distance) P-C4' energy: -16.429 flat angles C4'-P-C4' energy: -14.596 flat angles P-C4'-P energy: -10.687 tors. eta vs tors. theta energy: 0.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -84.101916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.101916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.101916 (E_RNA) where: Base-Base interactions energy: -34.980 where: short stacking energy: -21.181 Base-Backbone interact. energy: -0.102 local terms energy: -49.020035 where: bonds (distance) C4'-P energy: -10.002 bonds (distance) P-C4' energy: -13.587 flat angles C4'-P-C4' energy: -14.896 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -6.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -93.433352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.433352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.433352 (E_RNA) where: Base-Base interactions energy: -45.680 where: short stacking energy: -25.407 Base-Backbone interact. energy: -0.002 local terms energy: -47.751473 where: bonds (distance) C4'-P energy: -11.978 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -10.852 flat angles P-C4'-P energy: -2.886 tors. eta vs tors. theta energy: -6.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -68.931424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.931424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.931424 (E_RNA) where: Base-Base interactions energy: -17.453 where: short stacking energy: -17.453 Base-Backbone interact. energy: -0.100 local terms energy: -51.378064 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -9.221 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: 1, replica: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -178.098641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.098641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.098641 (E_RNA) where: Base-Base interactions energy: -110.200 where: short stacking energy: -62.372 Base-Backbone interact. energy: -0.255 local terms energy: -67.643852 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -9.273 tors. eta vs tors. theta energy: -14.809 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: 9 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -168.396037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.396037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.396037 (E_RNA) where: Base-Base interactions energy: -100.396 where: short stacking energy: -55.053 Base-Backbone interact. energy: -0.344 local terms energy: -67.655988 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -14.700 flat angles P-C4'-P energy: -12.120 tors. eta vs tors. theta energy: -13.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -171.059428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.059428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.059428 (E_RNA) where: Base-Base interactions energy: -107.881 where: short stacking energy: -57.932 Base-Backbone interact. energy: -0.087 local terms energy: -63.091001 where: bonds (distance) C4'-P energy: -9.133 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -6.946 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: 4, replica: 5 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -147.847263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.847263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.847263 (E_RNA) where: Base-Base interactions energy: -85.728 where: short stacking energy: -47.053 Base-Backbone interact. energy: 0.215 local terms energy: -62.334393 where: bonds (distance) C4'-P energy: -14.391 bonds (distance) P-C4' energy: -13.569 flat angles C4'-P-C4' energy: -15.687 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -10.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -91.112794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.112794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.112794 (E_RNA) where: Base-Base interactions energy: -35.726 where: short stacking energy: -32.760 Base-Backbone interact. energy: -0.106 local terms energy: -55.281041 where: bonds (distance) C4'-P energy: -11.886 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -14.892 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: -9.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -87.106337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.106337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.106337 (E_RNA) where: Base-Base interactions energy: -27.936 where: short stacking energy: -27.936 Base-Backbone interact. energy: -0.017 local terms energy: -59.154139 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -13.341 flat angles C4'-P-C4' energy: -12.769 flat angles P-C4'-P energy: -9.849 tors. eta vs tors. theta energy: -10.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -89.962672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.962672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.962672 (E_RNA) where: Base-Base interactions energy: -35.673 where: short stacking energy: -32.045 Base-Backbone interact. energy: -0.005 local terms energy: -54.284412 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -14.504 flat angles P-C4'-P energy: -8.613 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: 8, replica: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -86.077385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.077385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.077385 (E_RNA) where: Base-Base interactions energy: -35.321 where: short stacking energy: -31.580 Base-Backbone interact. energy: -0.004 local terms energy: -50.753092 where: bonds (distance) C4'-P energy: -10.184 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -9.717 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -8.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -70.530382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.530382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.530382 (E_RNA) where: Base-Base interactions energy: -22.484 where: short stacking energy: -19.979 Base-Backbone interact. energy: -0.133 local terms energy: -47.912747 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -11.892 flat angles P-C4'-P energy: -7.501 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -64.742120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.742120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.742120 (E_RNA) where: Base-Base interactions energy: -27.873 where: short stacking energy: -27.272 Base-Backbone interact. energy: -0.199 local terms energy: -36.670052 where: bonds (distance) C4'-P energy: -10.058 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -194.111584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.111584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.111584 (E_RNA) where: Base-Base interactions energy: -128.383 where: short stacking energy: -50.685 Base-Backbone interact. energy: -1.770 local terms energy: -63.959038 where: bonds (distance) C4'-P energy: -12.441 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: -13.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -171.168596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.168596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.168596 (E_RNA) where: Base-Base interactions energy: -107.028 where: short stacking energy: -58.438 Base-Backbone interact. energy: -0.000 local terms energy: -64.140331 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -15.564 flat angles C4'-P-C4' energy: -11.289 flat angles P-C4'-P energy: -7.387 tors. eta vs tors. theta energy: -16.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -160.944218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.944218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.944218 (E_RNA) where: Base-Base interactions energy: -100.763 where: short stacking energy: -34.744 Base-Backbone interact. energy: -0.133 local terms energy: -60.047590 where: bonds (distance) C4'-P energy: -15.774 bonds (distance) P-C4' energy: -11.764 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -8.765 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: 4, replica: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -149.434072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.434072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.434072 (E_RNA) where: Base-Base interactions energy: -87.774 where: short stacking energy: -44.284 Base-Backbone interact. energy: -0.311 local terms energy: -61.349303 where: bonds (distance) C4'-P energy: -11.407 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -12.016 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -14.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -97.620413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.620413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.620413 (E_RNA) where: Base-Base interactions energy: -42.431 where: short stacking energy: -38.862 Base-Backbone interact. energy: -0.089 local terms energy: -55.100109 where: bonds (distance) C4'-P energy: -12.692 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -10.466 flat angles P-C4'-P energy: -12.715 tors. eta vs tors. theta energy: -5.705 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: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -91.459462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.459462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.459462 (E_RNA) where: Base-Base interactions energy: -36.610 where: short stacking energy: -32.069 Base-Backbone interact. energy: -0.104 local terms energy: -54.745360 where: bonds (distance) C4'-P energy: -8.318 bonds (distance) P-C4' energy: -15.444 flat angles C4'-P-C4' energy: -16.533 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -7.388 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: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -80.873506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.873506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.873506 (E_RNA) where: Base-Base interactions energy: -35.602 where: short stacking energy: -35.602 Base-Backbone interact. energy: -0.081 local terms energy: -45.190066 where: bonds (distance) C4'-P energy: -10.405 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -9.804 flat angles P-C4'-P energy: -6.706 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -73.427487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.427487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.427487 (E_RNA) where: Base-Base interactions energy: -24.215 where: short stacking energy: -20.433 Base-Backbone interact. energy: -0.044 local terms energy: -49.168531 where: bonds (distance) C4'-P energy: -12.243 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -9.646 flat angles P-C4'-P energy: -7.598 tors. eta vs tors. theta energy: -4.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -73.718934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.718934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.718934 (E_RNA) where: Base-Base interactions energy: -28.688 where: short stacking energy: -20.889 Base-Backbone interact. energy: -0.981 local terms energy: -44.049940 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -10.369 flat angles C4'-P-C4' energy: -10.581 flat angles P-C4'-P energy: -9.842 tors. eta vs tors. theta energy: 0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -64.980658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.980658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.980658 (E_RNA) where: Base-Base interactions energy: -29.579 where: short stacking energy: -21.528 Base-Backbone interact. energy: 0.366 local terms energy: -35.767635 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -9.625 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: 6.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -193.575363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.575363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.575363 (E_RNA) where: Base-Base interactions energy: -129.331 where: short stacking energy: -50.860 Base-Backbone interact. energy: -1.457 local terms energy: -62.787202 where: bonds (distance) C4'-P energy: -14.627 bonds (distance) P-C4' energy: -15.656 flat angles C4'-P-C4' energy: -11.910 flat angles P-C4'-P energy: -7.838 tors. eta vs tors. theta energy: -12.756 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: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -171.347178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.347178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.347178 (E_RNA) where: Base-Base interactions energy: -105.390 where: short stacking energy: -43.647 Base-Backbone interact. energy: -0.121 local terms energy: -65.835986 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -8.360 tors. eta vs tors. theta energy: -13.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -168.270106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.270106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.270106 (E_RNA) where: Base-Base interactions energy: -101.883 where: short stacking energy: -56.547 Base-Backbone interact. energy: 0.060 local terms energy: -66.446898 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -13.996 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -6.939 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: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -154.185179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.185179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.185179 (E_RNA) where: Base-Base interactions energy: -97.201 where: short stacking energy: -48.794 Base-Backbone interact. energy: -0.587 local terms energy: -56.397519 where: bonds (distance) C4'-P energy: -8.698 bonds (distance) P-C4' energy: -12.629 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -12.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -85.238098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.238098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.238098 (E_RNA) where: Base-Base interactions energy: -37.978 where: short stacking energy: -28.839 Base-Backbone interact. energy: -0.083 local terms energy: -47.176673 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -10.677 flat angles P-C4'-P energy: -7.978 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -89.016769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.016769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.016769 (E_RNA) where: Base-Base interactions energy: -34.431 where: short stacking energy: -29.834 Base-Backbone interact. energy: -0.090 local terms energy: -54.495398 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -3.956 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: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -86.162080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.162080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.162080 (E_RNA) where: Base-Base interactions energy: -32.638 where: short stacking energy: -32.148 Base-Backbone interact. energy: -0.045 local terms energy: -53.479029 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -5.801 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: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -85.408292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.408292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.408292 (E_RNA) where: Base-Base interactions energy: -39.810 where: short stacking energy: -28.167 Base-Backbone interact. energy: -0.597 local terms energy: -45.001745 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -11.324 flat angles C4'-P-C4' energy: -9.989 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -4.094 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: 6 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -68.041934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.041934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.041934 (E_RNA) where: Base-Base interactions energy: -27.558 where: short stacking energy: -16.006 Base-Backbone interact. energy: 0.631 local terms energy: -41.114590 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -74.063601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.063601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.063601 (E_RNA) where: Base-Base interactions energy: -30.222 where: short stacking energy: -28.305 Base-Backbone interact. energy: -0.150 local terms energy: -43.691190 where: bonds (distance) C4'-P energy: -9.539 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -8.670 tors. eta vs tors. theta energy: -5.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -182.852339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.852339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.852339 (E_RNA) where: Base-Base interactions energy: -115.464 where: short stacking energy: -41.410 Base-Backbone interact. energy: -0.890 local terms energy: -66.498719 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -14.078 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: 2, replica: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -177.055649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.055649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.055649 (E_RNA) where: Base-Base interactions energy: -115.106 where: short stacking energy: -58.663 Base-Backbone interact. energy: -0.310 local terms energy: -61.639728 where: bonds (distance) C4'-P energy: -9.207 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -11.960 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: 3, replica: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -167.728322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.728322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.728322 (E_RNA) where: Base-Base interactions energy: -104.829 where: short stacking energy: -50.154 Base-Backbone interact. energy: -0.008 local terms energy: -62.892261 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -12.903 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -12.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -130.903356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.903356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.903356 (E_RNA) where: Base-Base interactions energy: -76.267 where: short stacking energy: -35.506 Base-Backbone interact. energy: -0.171 local terms energy: -54.465681 where: bonds (distance) C4'-P energy: -11.095 bonds (distance) P-C4' energy: -13.437 flat angles C4'-P-C4' energy: -10.450 flat angles P-C4'-P energy: -10.421 tors. eta vs tors. theta energy: -9.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -97.439681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.439681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.439681 (E_RNA) where: Base-Base interactions energy: -53.163 where: short stacking energy: -38.511 Base-Backbone interact. energy: -0.002 local terms energy: -44.274226 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -15.043 flat angles C4'-P-C4' energy: -9.942 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -85.258163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.258163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.258163 (E_RNA) where: Base-Base interactions energy: -37.476 where: short stacking energy: -31.161 Base-Backbone interact. energy: -0.195 local terms energy: -47.587583 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -10.243 flat angles C4'-P-C4' energy: -10.628 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -5.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -79.870400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.870400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.870400 (E_RNA) where: Base-Base interactions energy: -28.890 where: short stacking energy: -28.890 Base-Backbone interact. energy: -0.074 local terms energy: -50.906994 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -12.527 flat angles P-C4'-P energy: -10.232 tors. eta vs tors. theta energy: 0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -112.221398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.221398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.221398 (E_RNA) where: Base-Base interactions energy: -65.427 where: short stacking energy: -38.775 Base-Backbone interact. energy: -2.532 local terms energy: -44.261483 where: bonds (distance) C4'-P energy: -9.563 bonds (distance) P-C4' energy: -9.737 flat angles C4'-P-C4' energy: -10.467 flat angles P-C4'-P energy: -7.931 tors. eta vs tors. theta energy: -6.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -71.546264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.546264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.546264 (E_RNA) where: Base-Base interactions energy: -24.311 where: short stacking energy: -24.311 Base-Backbone interact. energy: -0.099 local terms energy: -47.136451 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -70.640067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.640067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.640067 (E_RNA) where: Base-Base interactions energy: -26.011 where: short stacking energy: -24.568 Base-Backbone interact. energy: -0.254 local terms energy: -44.374603 where: bonds (distance) C4'-P energy: -9.445 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -7.579 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: 1, replica: 9 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -190.602807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.602807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.602807 (E_RNA) where: Base-Base interactions energy: -119.902 where: short stacking energy: -44.959 Base-Backbone interact. energy: -0.245 local terms energy: -70.456392 where: bonds (distance) C4'-P energy: -16.792 bonds (distance) P-C4' energy: -14.995 flat angles C4'-P-C4' energy: -14.850 flat angles P-C4'-P energy: -12.675 tors. eta vs tors. theta energy: -11.145 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: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -169.066943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.066943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.066943 (E_RNA) where: Base-Base interactions energy: -103.127 where: short stacking energy: -49.665 Base-Backbone interact. energy: -0.524 local terms energy: -65.416823 where: bonds (distance) C4'-P energy: -11.940 bonds (distance) P-C4' energy: -16.425 flat angles C4'-P-C4' energy: -12.549 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -14.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -178.533745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.533745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.533745 (E_RNA) where: Base-Base interactions energy: -115.373 where: short stacking energy: -46.506 Base-Backbone interact. energy: -1.247 local terms energy: -61.913685 where: bonds (distance) C4'-P energy: -10.735 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -7.387 tors. eta vs tors. theta energy: -16.478 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: 5 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -139.929964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.929964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.929964 (E_RNA) where: Base-Base interactions energy: -81.664 where: short stacking energy: -46.324 Base-Backbone interact. energy: 0.883 local terms energy: -59.148715 where: bonds (distance) C4'-P energy: -11.675 bonds (distance) P-C4' energy: -11.248 flat angles C4'-P-C4' energy: -15.734 flat angles P-C4'-P energy: -11.726 tors. eta vs tors. theta energy: -8.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -109.017410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.017410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.017410 (E_RNA) where: Base-Base interactions energy: -51.506 where: short stacking energy: -29.358 Base-Backbone interact. energy: -0.016 local terms energy: -57.494883 where: bonds (distance) C4'-P energy: -14.896 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -10.494 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -9.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -93.183246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.183246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.183246 (E_RNA) where: Base-Base interactions energy: -44.768 where: short stacking energy: -19.383 Base-Backbone interact. energy: -0.951 local terms energy: -47.463798 where: bonds (distance) C4'-P energy: -10.847 bonds (distance) P-C4' energy: -15.778 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -11.200 tors. eta vs tors. theta energy: -1.640 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: 7, replica: 8 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -81.058019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.058019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.058019 (E_RNA) where: Base-Base interactions energy: -37.960 where: short stacking energy: -37.960 Base-Backbone interact. energy: -0.190 local terms energy: -42.907884 where: bonds (distance) C4'-P energy: -8.339 bonds (distance) P-C4' energy: -9.534 flat angles C4'-P-C4' energy: -11.844 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -5.516 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: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -79.811860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.811860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.811860 (E_RNA) where: Base-Base interactions energy: -33.894 where: short stacking energy: -33.894 Base-Backbone interact. energy: -0.051 local terms energy: -45.866962 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -9.552 flat angles C4'-P-C4' energy: -10.510 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -7.874 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: 4 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -73.650690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.650690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.650690 (E_RNA) where: Base-Base interactions energy: -30.767 where: short stacking energy: -22.288 Base-Backbone interact. energy: -0.194 local terms energy: -42.689067 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: 0.114 tors. eta vs tors. theta energy: -4.825 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: 10, replica: 6 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -72.493713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.493713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.493713 (E_RNA) where: Base-Base interactions energy: -36.515 where: short stacking energy: -15.472 Base-Backbone interact. energy: -0.039 local terms energy: -35.939227 where: bonds (distance) C4'-P energy: -11.344 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -8.430 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: 0.849 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: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -174.899897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.899897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.899897 (E_RNA) where: Base-Base interactions energy: -103.983 where: short stacking energy: -51.710 Base-Backbone interact. energy: -1.028 local terms energy: -69.889114 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -16.555 flat angles C4'-P-C4' energy: -15.110 flat angles P-C4'-P energy: -9.036 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: 2, replica: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -177.197842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.197842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.197842 (E_RNA) where: Base-Base interactions energy: -114.056 where: short stacking energy: -45.605 Base-Backbone interact. energy: -0.309 local terms energy: -62.833191 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -15.613 flat angles C4'-P-C4' energy: -12.246 flat angles P-C4'-P energy: -7.291 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: 3, replica: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -170.717957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.717957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.717957 (E_RNA) where: Base-Base interactions energy: -106.481 where: short stacking energy: -49.790 Base-Backbone interact. energy: -0.749 local terms energy: -63.487669 where: bonds (distance) C4'-P energy: -13.903 bonds (distance) P-C4' energy: -12.804 flat angles C4'-P-C4' energy: -15.409 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -10.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -147.951211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.951211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.951211 (E_RNA) where: Base-Base interactions energy: -88.284 where: short stacking energy: -39.317 Base-Backbone interact. energy: -0.010 local terms energy: -59.657120 where: bonds (distance) C4'-P energy: -16.167 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -14.077 flat angles P-C4'-P energy: -7.144 tors. eta vs tors. theta energy: -8.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -113.592290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.592290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.592290 (E_RNA) where: Base-Base interactions energy: -61.655 where: short stacking energy: -25.312 Base-Backbone interact. energy: -0.951 local terms energy: -50.986337 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -14.763 flat angles C4'-P-C4' energy: -11.337 flat angles P-C4'-P energy: -9.385 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: 6, replica: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -80.286846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.286846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.286846 (E_RNA) where: Base-Base interactions energy: -29.880 where: short stacking energy: -29.880 Base-Backbone interact. energy: -0.003 local terms energy: -50.403476 where: bonds (distance) C4'-P energy: -14.934 bonds (distance) P-C4' energy: -8.902 flat angles C4'-P-C4' energy: -9.676 flat angles P-C4'-P energy: -8.559 tors. eta vs tors. theta energy: -8.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -91.489381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.489381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.489381 (E_RNA) where: Base-Base interactions energy: -58.440 where: short stacking energy: -42.038 Base-Backbone interact. energy: 1.257 local terms energy: -34.306891 where: bonds (distance) C4'-P energy: -5.889 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -9.347 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -7.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -74.363117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.363117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.363117 (E_RNA) where: Base-Base interactions energy: -28.413 where: short stacking energy: -23.386 Base-Backbone interact. energy: 0.665 local terms energy: -46.615529 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -5.435 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: 6 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -76.420200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.420200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.420200 (E_RNA) where: Base-Base interactions energy: -31.546 where: short stacking energy: -31.546 Base-Backbone interact. energy: -0.103 local terms energy: -44.770444 where: bonds (distance) C4'-P energy: -4.886 bonds (distance) P-C4' energy: -13.370 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -6.961 tors. eta vs tors. theta energy: -5.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -73.689694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.689694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.689694 (E_RNA) where: Base-Base interactions energy: -36.375 where: short stacking energy: -25.638 Base-Backbone interact. energy: -0.415 local terms energy: -36.899291 where: bonds (distance) C4'-P energy: -7.419 bonds (distance) P-C4' energy: -10.983 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -9.781 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -179.648080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.648080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.648080 (E_RNA) where: Base-Base interactions energy: -112.135 where: short stacking energy: -55.002 Base-Backbone interact. energy: -0.010 local terms energy: -67.502627 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -13.601 flat angles P-C4'-P energy: -7.699 tors. eta vs tors. theta energy: -18.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -175.783018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.783018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.783018 (E_RNA) where: Base-Base interactions energy: -107.361 where: short stacking energy: -49.333 Base-Backbone interact. energy: -0.135 local terms energy: -68.287079 where: bonds (distance) C4'-P energy: -16.308 bonds (distance) P-C4' energy: -11.158 flat angles C4'-P-C4' energy: -14.548 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: -15.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -165.397469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.397469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.397469 (E_RNA) where: Base-Base interactions energy: -105.448 where: short stacking energy: -40.071 Base-Backbone interact. energy: -0.527 local terms energy: -59.422211 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -16.051 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -8.565 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: 259 Temperature: 1.050000 Total energy: -136.529491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.529491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.529491 (E_RNA) where: Base-Base interactions energy: -81.815 where: short stacking energy: -49.207 Base-Backbone interact. energy: -0.137 local terms energy: -54.577531 where: bonds (distance) C4'-P energy: -15.831 bonds (distance) P-C4' energy: -11.355 flat angles C4'-P-C4' energy: -10.393 flat angles P-C4'-P energy: -6.826 tors. eta vs tors. theta energy: -10.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -83.733835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.733835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.733835 (E_RNA) where: Base-Base interactions energy: -32.837 where: short stacking energy: -32.837 Base-Backbone interact. energy: -0.046 local terms energy: -50.850664 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -9.102 flat angles P-C4'-P energy: -12.296 tors. eta vs tors. theta energy: -4.481 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: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -141.084411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.084411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.084411 (E_RNA) where: Base-Base interactions energy: -88.539 where: short stacking energy: -39.677 Base-Backbone interact. energy: 0.989 local terms energy: -53.533870 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -10.969 flat angles P-C4'-P energy: -7.801 tors. eta vs tors. theta energy: -8.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -82.679769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.679769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.679769 (E_RNA) where: Base-Base interactions energy: -34.286 where: short stacking energy: -34.286 Base-Backbone interact. energy: -0.100 local terms energy: -48.293859 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -9.766 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -6.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -81.217867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.217867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.217867 (E_RNA) where: Base-Base interactions energy: -41.450 where: short stacking energy: -38.165 Base-Backbone interact. energy: -0.108 local terms energy: -39.659620 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -11.642 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -8.874 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: 9, replica: 6 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -80.808332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.808332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.808332 (E_RNA) where: Base-Base interactions energy: -31.016 where: short stacking energy: -22.884 Base-Backbone interact. energy: 1.176 local terms energy: -50.967988 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -17.087 flat angles P-C4'-P energy: -7.682 tors. eta vs tors. theta energy: 1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -66.527735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.527735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.527735 (E_RNA) where: Base-Base interactions energy: -22.694 where: short stacking energy: -19.942 Base-Backbone interact. energy: -0.007 local terms energy: -43.827121 where: bonds (distance) C4'-P energy: -10.971 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -8.874 flat angles P-C4'-P energy: -8.695 tors. eta vs tors. theta energy: -0.584 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: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -173.492543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.492543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.492543 (E_RNA) where: Base-Base interactions energy: -110.840 where: short stacking energy: -48.371 Base-Backbone interact. energy: -0.385 local terms energy: -62.266802 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -14.465 flat angles C4'-P-C4' energy: -13.094 flat angles P-C4'-P energy: -6.783 tors. eta vs tors. theta energy: -14.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -180.057528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.057528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.057528 (E_RNA) where: Base-Base interactions energy: -113.454 where: short stacking energy: -56.222 Base-Backbone interact. energy: -0.372 local terms energy: -66.231091 where: bonds (distance) C4'-P energy: -12.399 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -15.882 flat angles P-C4'-P energy: -8.498 tors. eta vs tors. theta energy: -16.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -173.998370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.998370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.998370 (E_RNA) where: Base-Base interactions energy: -107.141 where: short stacking energy: -48.606 Base-Backbone interact. energy: -0.412 local terms energy: -66.444673 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -13.837 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -15.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -132.227553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.227553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.227553 (E_RNA) where: Base-Base interactions energy: -79.300 where: short stacking energy: -44.588 Base-Backbone interact. energy: -0.123 local terms energy: -52.804385 where: bonds (distance) C4'-P energy: -12.710 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -14.806 flat angles P-C4'-P energy: -7.236 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -151.712322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.712322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.712322 (E_RNA) where: Base-Base interactions energy: -96.875 where: short stacking energy: -52.821 Base-Backbone interact. energy: -0.011 local terms energy: -54.826536 where: bonds (distance) C4'-P energy: -8.479 bonds (distance) P-C4' energy: -13.622 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -12.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -91.468237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.468237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.468237 (E_RNA) where: Base-Base interactions energy: -44.456 where: short stacking energy: -25.837 Base-Backbone interact. energy: -0.446 local terms energy: -46.566279 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -9.223 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -10.399 tors. eta vs tors. theta energy: 1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -85.040812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.040812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.040812 (E_RNA) where: Base-Base interactions energy: -32.126 where: short stacking energy: -32.126 Base-Backbone interact. energy: -0.005 local terms energy: -52.909818 where: bonds (distance) C4'-P energy: -10.797 bonds (distance) P-C4' energy: -12.305 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -11.584 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: 8, replica: 10 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -85.872270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.872270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.872270 (E_RNA) where: Base-Base interactions energy: -30.593 where: short stacking energy: -30.593 Base-Backbone interact. energy: -0.025 local terms energy: -55.254186 where: bonds (distance) C4'-P energy: -13.508 bonds (distance) P-C4' energy: -11.635 flat angles C4'-P-C4' energy: -11.454 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -9.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -90.705421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.705421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.705421 (E_RNA) where: Base-Base interactions energy: -39.008 where: short stacking energy: -27.662 Base-Backbone interact. energy: -0.249 local terms energy: -51.448506 where: bonds (distance) C4'-P energy: -8.173 bonds (distance) P-C4' energy: -14.576 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -8.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -79.746308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.746308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.746308 (E_RNA) where: Base-Base interactions energy: -30.397 where: short stacking energy: -26.628 Base-Backbone interact. energy: -0.386 local terms energy: -48.962411 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -10.572 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -11.119 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: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -181.780816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.780816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.780816 (E_RNA) where: Base-Base interactions energy: -115.970 where: short stacking energy: -58.692 Base-Backbone interact. energy: -0.003 local terms energy: -65.807425 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -7.835 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: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -172.733452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.733452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.733452 (E_RNA) where: Base-Base interactions energy: -113.092 where: short stacking energy: -56.705 Base-Backbone interact. energy: -0.584 local terms energy: -59.057670 where: bonds (distance) C4'-P energy: -10.454 bonds (distance) P-C4' energy: -11.390 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: -15.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -157.511295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.511295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.511295 (E_RNA) where: Base-Base interactions energy: -105.095 where: short stacking energy: -41.211 Base-Backbone interact. energy: 0.033 local terms energy: -52.449011 where: bonds (distance) C4'-P energy: -10.595 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -15.417 flat angles P-C4'-P energy: -7.566 tors. eta vs tors. theta energy: -5.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -163.870800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.870800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.870800 (E_RNA) where: Base-Base interactions energy: -103.438 where: short stacking energy: -52.892 Base-Backbone interact. energy: -0.374 local terms energy: -60.058873 where: bonds (distance) C4'-P energy: -12.384 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -14.204 flat angles P-C4'-P energy: -7.402 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: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -145.706464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.706464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.706464 (E_RNA) where: Base-Base interactions energy: -84.941 where: short stacking energy: -43.016 Base-Backbone interact. energy: -1.366 local terms energy: -59.399900 where: bonds (distance) C4'-P energy: -14.502 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -13.155 flat angles P-C4'-P energy: -12.446 tors. eta vs tors. theta energy: -7.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -99.765772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.765772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.765772 (E_RNA) where: Base-Base interactions energy: -51.619 where: short stacking energy: -37.790 Base-Backbone interact. energy: -0.088 local terms energy: -48.058785 where: bonds (distance) C4'-P energy: -12.813 bonds (distance) P-C4' energy: -9.504 flat angles C4'-P-C4' energy: -11.978 flat angles P-C4'-P energy: -2.915 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: 7, replica: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -85.041428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.041428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.041428 (E_RNA) where: Base-Base interactions energy: -34.870 where: short stacking energy: -34.870 Base-Backbone interact. energy: 0.100 local terms energy: -50.271408 where: bonds (distance) C4'-P energy: -11.429 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -11.483 flat angles P-C4'-P energy: -10.705 tors. eta vs tors. theta energy: -3.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -82.523049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.523049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.523049 (E_RNA) where: Base-Base interactions energy: -38.026 where: short stacking energy: -24.542 Base-Backbone interact. energy: -0.436 local terms energy: -44.061917 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -7.780 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -75.981120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.981120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.981120 (E_RNA) where: Base-Base interactions energy: -28.021 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.022 local terms energy: -47.938401 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -7.855 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: 10, replica: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -61.248980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.248980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.248980 (E_RNA) where: Base-Base interactions energy: -21.672 where: short stacking energy: -18.252 Base-Backbone interact. energy: -0.268 local terms energy: -39.309800 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -9.091 flat angles P-C4'-P energy: -8.569 tors. eta vs tors. theta energy: 2.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -183.467164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.467164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.467164 (E_RNA) where: Base-Base interactions energy: -121.091 where: short stacking energy: -56.201 Base-Backbone interact. energy: -0.765 local terms energy: -61.610691 where: bonds (distance) C4'-P energy: -11.132 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -13.723 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: 262 Temperature: 0.950000 Total energy: -175.472881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.472881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.472881 (E_RNA) where: Base-Base interactions energy: -109.073 where: short stacking energy: -49.399 Base-Backbone interact. energy: -1.278 local terms energy: -65.121569 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -9.691 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: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -164.634299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.634299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.634299 (E_RNA) where: Base-Base interactions energy: -103.565 where: short stacking energy: -39.286 Base-Backbone interact. energy: -0.599 local terms energy: -60.470062 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -11.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -170.677157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.677157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.677157 (E_RNA) where: Base-Base interactions energy: -110.567 where: short stacking energy: -50.946 Base-Backbone interact. energy: -0.077 local terms energy: -60.033820 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -9.221 flat angles C4'-P-C4' energy: -12.735 flat angles P-C4'-P energy: -8.036 tors. eta vs tors. theta energy: -18.010 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: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -146.457862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.457862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.457862 (E_RNA) where: Base-Base interactions energy: -94.106 where: short stacking energy: -35.976 Base-Backbone interact. energy: -0.395 local terms energy: -51.956372 where: bonds (distance) C4'-P energy: -14.951 bonds (distance) P-C4' energy: -11.985 flat angles C4'-P-C4' energy: -10.436 flat angles P-C4'-P energy: -7.207 tors. eta vs tors. theta energy: -7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -88.928743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.928743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.928743 (E_RNA) where: Base-Base interactions energy: -37.189 where: short stacking energy: -27.210 Base-Backbone interact. energy: -0.003 local terms energy: -51.736782 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -14.254 flat angles C4'-P-C4' energy: -14.564 flat angles P-C4'-P energy: -8.045 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -82.783834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.783834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.783834 (E_RNA) where: Base-Base interactions energy: -35.185 where: short stacking energy: -33.112 Base-Backbone interact. energy: -0.087 local terms energy: -47.512041 where: bonds (distance) C4'-P energy: -11.117 bonds (distance) P-C4' energy: -13.878 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -3.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -87.910700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.910700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.910700 (E_RNA) where: Base-Base interactions energy: -39.900 where: short stacking energy: -29.307 Base-Backbone interact. energy: -0.223 local terms energy: -47.788008 where: bonds (distance) C4'-P energy: -14.317 bonds (distance) P-C4' energy: -12.577 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -5.857 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: 6 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -77.585807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.585807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.585807 (E_RNA) where: Base-Base interactions energy: -37.012 where: short stacking energy: -26.698 Base-Backbone interact. energy: -0.039 local terms energy: -40.534973 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -9.103 flat angles C4'-P-C4' energy: -12.794 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -74.884517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.884517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.884517 (E_RNA) where: Base-Base interactions energy: -28.161 where: short stacking energy: -15.603 Base-Backbone interact. energy: -0.426 local terms energy: -46.297056 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -14.845 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -184.496737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.496737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.496737 (E_RNA) where: Base-Base interactions energy: -118.444 where: short stacking energy: -53.423 Base-Backbone interact. energy: -0.912 local terms energy: -65.140563 where: bonds (distance) C4'-P energy: -15.173 bonds (distance) P-C4' energy: -14.736 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -7.803 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: 2, replica: 9 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -176.131823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.131823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.131823 (E_RNA) where: Base-Base interactions energy: -106.050 where: short stacking energy: -46.679 Base-Backbone interact. energy: -0.460 local terms energy: -69.621425 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -16.904 flat angles C4'-P-C4' energy: -16.137 flat angles P-C4'-P energy: -7.968 tors. eta vs tors. theta energy: -15.393 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: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -174.737908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.737908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.737908 (E_RNA) where: Base-Base interactions energy: -115.481 where: short stacking energy: -61.800 Base-Backbone interact. energy: -0.602 local terms energy: -58.654234 where: bonds (distance) C4'-P energy: -9.010 bonds (distance) P-C4' energy: -8.069 flat angles C4'-P-C4' energy: -14.853 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -16.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -132.424916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.424916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.424916 (E_RNA) where: Base-Base interactions energy: -73.017 where: short stacking energy: -44.725 Base-Backbone interact. energy: -0.272 local terms energy: -59.135512 where: bonds (distance) C4'-P energy: -12.524 bonds (distance) P-C4' energy: -16.422 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -6.058 tors. eta vs tors. theta energy: -11.093 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: 1 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -160.357456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.357456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.357456 (E_RNA) where: Base-Base interactions energy: -112.270 where: short stacking energy: -43.836 Base-Backbone interact. energy: -0.170 local terms energy: -47.918360 where: bonds (distance) C4'-P energy: -13.050 bonds (distance) P-C4' energy: -12.292 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -0.651 tors. eta vs tors. theta energy: -8.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -83.165363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.165363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.165363 (E_RNA) where: Base-Base interactions energy: -35.668 where: short stacking energy: -30.428 Base-Backbone interact. energy: 0.582 local terms energy: -48.079885 where: bonds (distance) C4'-P energy: -7.833 bonds (distance) P-C4' energy: -12.546 flat angles C4'-P-C4' energy: -13.035 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -7.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -91.474180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.474180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.474180 (E_RNA) where: Base-Base interactions energy: -42.934 where: short stacking energy: -42.934 Base-Backbone interact. energy: -0.061 local terms energy: -48.479484 where: bonds (distance) C4'-P energy: -8.405 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -12.805 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -9.615 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: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -77.635222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.635222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.635222 (E_RNA) where: Base-Base interactions energy: -26.957 where: short stacking energy: -26.957 Base-Backbone interact. energy: -0.017 local terms energy: -50.660878 where: bonds (distance) C4'-P energy: -13.233 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -14.346 flat angles P-C4'-P energy: -10.522 tors. eta vs tors. theta energy: 0.483 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: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -73.921619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.921619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.921619 (E_RNA) where: Base-Base interactions energy: -31.086 where: short stacking energy: -31.086 Base-Backbone interact. energy: -0.130 local terms energy: -42.705719 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -8.947 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -67.602651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.602651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.602651 (E_RNA) where: Base-Base interactions energy: -19.628 where: short stacking energy: -15.625 Base-Backbone interact. energy: 0.639 local terms energy: -48.613111 where: bonds (distance) C4'-P energy: -16.179 bonds (distance) P-C4' energy: -16.361 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: 0.233 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: 1, replica: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -181.934011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.934011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.934011 (E_RNA) where: Base-Base interactions energy: -114.897 where: short stacking energy: -57.607 Base-Backbone interact. energy: -0.006 local terms energy: -67.030700 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -7.175 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: 2, replica: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -170.428633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.428633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.428633 (E_RNA) where: Base-Base interactions energy: -111.156 where: short stacking energy: -44.125 Base-Backbone interact. energy: -0.128 local terms energy: -59.144595 where: bonds (distance) C4'-P energy: -13.989 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -12.931 flat angles P-C4'-P energy: -9.262 tors. eta vs tors. theta energy: -8.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -140.914920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.914920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.914920 (E_RNA) where: Base-Base interactions energy: -87.787 where: short stacking energy: -35.214 Base-Backbone interact. energy: -0.430 local terms energy: -52.697370 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: -9.361 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: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -173.725117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.725117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.725117 (E_RNA) where: Base-Base interactions energy: -108.353 where: short stacking energy: -51.598 Base-Backbone interact. energy: 0.421 local terms energy: -65.793741 where: bonds (distance) C4'-P energy: -13.012 bonds (distance) P-C4' energy: -14.570 flat angles C4'-P-C4' energy: -12.390 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -16.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -157.621592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.621592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.621592 (E_RNA) where: Base-Base interactions energy: -98.541 where: short stacking energy: -48.504 Base-Backbone interact. energy: -1.098 local terms energy: -57.981858 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -7.550 flat angles C4'-P-C4' energy: -10.957 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -13.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -91.981839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.981839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.981839 (E_RNA) where: Base-Base interactions energy: -52.738 where: short stacking energy: -36.518 Base-Backbone interact. energy: -0.024 local terms energy: -39.220445 where: bonds (distance) C4'-P energy: -11.763 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -0.752 tors. eta vs tors. theta energy: -8.737 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: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -84.632355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.632355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.632355 (E_RNA) where: Base-Base interactions energy: -36.264 where: short stacking energy: -34.655 Base-Backbone interact. energy: -0.036 local terms energy: -48.332193 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -11.046 flat angles C4'-P-C4' energy: -11.582 flat angles P-C4'-P energy: -6.831 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: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -76.017543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.017543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.017543 (E_RNA) where: Base-Base interactions energy: -26.851 where: short stacking energy: -22.483 Base-Backbone interact. energy: -0.166 local terms energy: -49.000793 where: bonds (distance) C4'-P energy: -12.404 bonds (distance) P-C4' energy: -13.867 flat angles C4'-P-C4' energy: -10.370 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -2.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -65.635285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.635285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.635285 (E_RNA) where: Base-Base interactions energy: -19.579 where: short stacking energy: -19.512 Base-Backbone interact. energy: -0.207 local terms energy: -45.849038 where: bonds (distance) C4'-P energy: -14.230 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -11.226 flat angles P-C4'-P energy: -5.082 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: 264 Temperature: 1.350000 Total energy: -68.345310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.345310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.345310 (E_RNA) where: Base-Base interactions energy: -26.882 where: short stacking energy: -21.227 Base-Backbone interact. energy: -0.301 local terms energy: -41.162592 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -9.609 flat angles C4'-P-C4' energy: -14.323 flat angles P-C4'-P energy: -1.382 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -181.087001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.087001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.087001 (E_RNA) where: Base-Base interactions energy: -115.804 where: short stacking energy: -55.133 Base-Backbone interact. energy: -0.368 local terms energy: -64.914128 where: bonds (distance) C4'-P energy: -11.730 bonds (distance) P-C4' energy: -9.529 flat angles C4'-P-C4' energy: -16.310 flat angles P-C4'-P energy: -8.678 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: 2, replica: 9 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -188.273211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.273211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.273211 (E_RNA) where: Base-Base interactions energy: -125.808 where: short stacking energy: -43.519 Base-Backbone interact. energy: -0.362 local terms energy: -62.102954 where: bonds (distance) C4'-P energy: -13.624 bonds (distance) P-C4' energy: -15.158 flat angles C4'-P-C4' energy: -12.544 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -11.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -141.980987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.980987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.980987 (E_RNA) where: Base-Base interactions energy: -94.302 where: short stacking energy: -33.009 Base-Backbone interact. energy: -0.458 local terms energy: -47.220591 where: bonds (distance) C4'-P energy: -14.015 bonds (distance) P-C4' energy: -11.386 flat angles C4'-P-C4' energy: -10.062 flat angles P-C4'-P energy: -7.859 tors. eta vs tors. theta energy: -3.898 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: 4, replica: 1 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -165.660078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.660078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.660078 (E_RNA) where: Base-Base interactions energy: -103.182 where: short stacking energy: -52.917 Base-Backbone interact. energy: -0.014 local terms energy: -62.464194 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -14.146 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -12.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -171.310504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.310504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.310504 (E_RNA) where: Base-Base interactions energy: -113.228 where: short stacking energy: -42.650 Base-Backbone interact. energy: -0.448 local terms energy: -57.634112 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -15.027 flat angles C4'-P-C4' energy: -12.578 flat angles P-C4'-P energy: -7.285 tors. eta vs tors. theta energy: -9.713 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: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -90.064660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.064660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.064660 (E_RNA) where: Base-Base interactions energy: -34.777 where: short stacking energy: -26.220 Base-Backbone interact. energy: -0.114 local terms energy: -55.173066 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -12.875 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -10.028 tors. eta vs tors. theta energy: -5.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -83.887561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.887561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.887561 (E_RNA) where: Base-Base interactions energy: -36.651 where: short stacking energy: -34.963 Base-Backbone interact. energy: -0.201 local terms energy: -47.035261 where: bonds (distance) C4'-P energy: -8.215 bonds (distance) P-C4' energy: -15.113 flat angles C4'-P-C4' energy: -10.483 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -78.552874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.552874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.552874 (E_RNA) where: Base-Base interactions energy: -32.680 where: short stacking energy: -32.680 Base-Backbone interact. energy: 0.503 local terms energy: -46.375644 where: bonds (distance) C4'-P energy: -10.847 bonds (distance) P-C4' energy: -11.089 flat angles C4'-P-C4' energy: -10.458 flat angles P-C4'-P energy: -9.743 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: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -69.675073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.675073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.675073 (E_RNA) where: Base-Base interactions energy: -25.170 where: short stacking energy: -11.425 Base-Backbone interact. energy: -0.151 local terms energy: -44.354826 where: bonds (distance) C4'-P energy: -9.455 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -10.381 flat angles P-C4'-P energy: -6.015 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: 10, replica: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -70.046982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.046982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.046982 (E_RNA) where: Base-Base interactions energy: -24.118 where: short stacking energy: -24.118 Base-Backbone interact. energy: -0.011 local terms energy: -45.918243 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -16.812 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -7.185 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: 9 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -183.669432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.669432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.669432 (E_RNA) where: Base-Base interactions energy: -124.493 where: short stacking energy: -42.295 Base-Backbone interact. energy: -0.308 local terms energy: -58.868651 where: bonds (distance) C4'-P energy: -13.912 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -13.565 flat angles P-C4'-P energy: -7.758 tors. eta vs tors. theta energy: -9.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -183.280800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.280800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.280800 (E_RNA) where: Base-Base interactions energy: -117.605 where: short stacking energy: -60.061 Base-Backbone interact. energy: -0.600 local terms energy: -65.075855 where: bonds (distance) C4'-P energy: -13.444 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -14.190 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -17.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -171.738149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.738149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.738149 (E_RNA) where: Base-Base interactions energy: -110.556 where: short stacking energy: -57.239 Base-Backbone interact. energy: -0.002 local terms energy: -61.180409 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -10.023 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -6.385 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: 4, replica: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -139.920739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.920739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.920739 (E_RNA) where: Base-Base interactions energy: -80.200 where: short stacking energy: -47.746 Base-Backbone interact. energy: 0.095 local terms energy: -59.815284 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -13.801 flat angles C4'-P-C4' energy: -13.068 flat angles P-C4'-P energy: -8.494 tors. eta vs tors. theta energy: -11.659 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: 2 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -157.267940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.267940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.267940 (E_RNA) where: Base-Base interactions energy: -103.920 where: short stacking energy: -39.830 Base-Backbone interact. energy: -0.163 local terms energy: -53.184653 where: bonds (distance) C4'-P energy: -10.918 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -12.034 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -8.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -82.350919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.350919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.350919 (E_RNA) where: Base-Base interactions energy: -36.064 where: short stacking energy: -34.837 Base-Backbone interact. energy: 1.145 local terms energy: -47.431840 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -9.250 flat angles C4'-P-C4' energy: -10.537 flat angles P-C4'-P energy: -10.642 tors. eta vs tors. theta energy: -5.313 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: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -85.125417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.125417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.125417 (E_RNA) where: Base-Base interactions energy: -33.787 where: short stacking energy: -28.359 Base-Backbone interact. energy: -0.023 local terms energy: -51.315278 where: bonds (distance) C4'-P energy: -14.299 bonds (distance) P-C4' energy: -10.890 flat angles C4'-P-C4' energy: -9.963 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -71.418237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.418237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.418237 (E_RNA) where: Base-Base interactions energy: -29.988 where: short stacking energy: -28.723 Base-Backbone interact. energy: 0.077 local terms energy: -41.507364 where: bonds (distance) C4'-P energy: -9.559 bonds (distance) P-C4' energy: -5.352 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -7.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -75.931988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.931988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.931988 (E_RNA) where: Base-Base interactions energy: -26.533 where: short stacking energy: -25.626 Base-Backbone interact. energy: -0.137 local terms energy: -49.261700 where: bonds (distance) C4'-P energy: -9.982 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -11.614 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -8.297 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: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -82.661843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.661843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.661843 (E_RNA) where: Base-Base interactions energy: -30.182 where: short stacking energy: -30.182 Base-Backbone interact. energy: 0.401 local terms energy: -52.881361 where: bonds (distance) C4'-P energy: -10.239 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -7.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -188.051794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.051794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.051794 (E_RNA) where: Base-Base interactions energy: -119.974 where: short stacking energy: -52.116 Base-Backbone interact. energy: -0.071 local terms energy: -68.006733 where: bonds (distance) C4'-P energy: -14.860 bonds (distance) P-C4' energy: -14.503 flat angles C4'-P-C4' energy: -14.334 flat angles P-C4'-P energy: -9.137 tors. eta vs tors. theta energy: -15.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -180.259198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.259198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.259198 (E_RNA) where: Base-Base interactions energy: -105.325 where: short stacking energy: -53.402 Base-Backbone interact. energy: -0.722 local terms energy: -74.211780 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -15.291 flat angles P-C4'-P energy: -8.109 tors. eta vs tors. theta energy: -18.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -182.773002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.773002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.773002 (E_RNA) where: Base-Base interactions energy: -115.749 where: short stacking energy: -54.813 Base-Backbone interact. energy: -0.577 local terms energy: -66.446733 where: bonds (distance) C4'-P energy: -14.392 bonds (distance) P-C4' energy: -15.148 flat angles C4'-P-C4' energy: -13.479 flat angles P-C4'-P energy: -8.679 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: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -167.977080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.977080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.977080 (E_RNA) where: Base-Base interactions energy: -99.877 where: short stacking energy: -43.267 Base-Backbone interact. energy: -0.534 local terms energy: -67.565501 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -17.270 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -12.000 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: 267 Temperature: 1.100000 Total energy: -136.301363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.301363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.301363 (E_RNA) where: Base-Base interactions energy: -73.482 where: short stacking energy: -44.995 Base-Backbone interact. energy: -0.137 local terms energy: -62.682762 where: bonds (distance) C4'-P energy: -11.554 bonds (distance) P-C4' energy: -14.999 flat angles C4'-P-C4' energy: -12.726 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -14.388 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: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -91.970513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.970513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.970513 (E_RNA) where: Base-Base interactions energy: -41.024 where: short stacking energy: -38.545 Base-Backbone interact. energy: 3.981 local terms energy: -54.927099 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -9.264 flat angles C4'-P-C4' energy: -13.878 flat angles P-C4'-P energy: -11.277 tors. eta vs tors. theta energy: -6.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -85.024662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.024662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.024662 (E_RNA) where: Base-Base interactions energy: -30.903 where: short stacking energy: -30.903 Base-Backbone interact. energy: -0.011 local terms energy: -54.110337 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -12.653 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -72.159182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.159182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.159182 (E_RNA) where: Base-Base interactions energy: -22.863 where: short stacking energy: -22.196 Base-Backbone interact. energy: 0.423 local terms energy: -49.718931 where: bonds (distance) C4'-P energy: -7.895 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -13.125 flat angles P-C4'-P energy: -12.828 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -70.717602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.717602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.717602 (E_RNA) where: Base-Base interactions energy: -26.521 where: short stacking energy: -23.586 Base-Backbone interact. energy: -0.194 local terms energy: -44.002320 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -10.562 flat angles C4'-P-C4' energy: -9.717 flat angles P-C4'-P energy: -10.239 tors. eta vs tors. theta energy: -0.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -73.134253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.134253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.134253 (E_RNA) where: Base-Base interactions energy: -31.440 where: short stacking energy: -25.927 Base-Backbone interact. energy: -0.115 local terms energy: -41.579873 where: bonds (distance) C4'-P energy: -10.504 bonds (distance) P-C4' energy: -16.460 flat angles C4'-P-C4' energy: -10.045 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -184.385285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.385285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.385285 (E_RNA) where: Base-Base interactions energy: -116.556 where: short stacking energy: -42.757 Base-Backbone interact. energy: -0.180 local terms energy: -67.649202 where: bonds (distance) C4'-P energy: -14.767 bonds (distance) P-C4' energy: -16.843 flat angles C4'-P-C4' energy: -10.400 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -15.031 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: 1 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -185.268645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.268645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.268645 (E_RNA) where: Base-Base interactions energy: -109.866 where: short stacking energy: -62.915 Base-Backbone interact. energy: 1.007 local terms energy: -76.409660 where: bonds (distance) C4'-P energy: -12.847 bonds (distance) P-C4' energy: -16.110 flat angles C4'-P-C4' energy: -15.488 flat angles P-C4'-P energy: -12.506 tors. eta vs tors. theta energy: -19.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -169.047304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.047304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.047304 (E_RNA) where: Base-Base interactions energy: -106.871 where: short stacking energy: -43.005 Base-Backbone interact. energy: -0.542 local terms energy: -61.634273 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -9.288 tors. eta vs tors. theta energy: -11.406 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: 4, replica: 3 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -162.936819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.936819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.936819 (E_RNA) where: Base-Base interactions energy: -106.999 where: short stacking energy: -41.860 Base-Backbone interact. energy: -0.722 local terms energy: -55.215473 where: bonds (distance) C4'-P energy: -10.954 bonds (distance) P-C4' energy: -12.650 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -10.149 tors. eta vs tors. theta energy: -9.387 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: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -130.392028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.392028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.392028 (E_RNA) where: Base-Base interactions energy: -77.359 where: short stacking energy: -42.411 Base-Backbone interact. energy: 0.096 local terms energy: -53.129868 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -8.861 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: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -83.119919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.119919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.119919 (E_RNA) where: Base-Base interactions energy: -22.927 where: short stacking energy: -20.110 Base-Backbone interact. energy: -1.179 local terms energy: -59.014131 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -14.272 flat angles P-C4'-P energy: -8.755 tors. eta vs tors. theta energy: -6.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -91.590722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.590722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.590722 (E_RNA) where: Base-Base interactions energy: -38.032 where: short stacking energy: -28.127 Base-Backbone interact. energy: 0.536 local terms energy: -54.094773 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -7.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -87.672518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.672518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.672518 (E_RNA) where: Base-Base interactions energy: -32.812 where: short stacking energy: -28.334 Base-Backbone interact. energy: -0.010 local terms energy: -54.850884 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -6.666 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: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -83.892159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.892159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.892159 (E_RNA) where: Base-Base interactions energy: -52.631 where: short stacking energy: -24.192 Base-Backbone interact. energy: 4.681 local terms energy: -35.941938 where: bonds (distance) C4'-P energy: -7.909 bonds (distance) P-C4' energy: -13.531 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -6.111 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: 10, replica: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -72.396405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.396405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.396405 (E_RNA) where: Base-Base interactions energy: -25.053 where: short stacking energy: -24.309 Base-Backbone interact. energy: -0.431 local terms energy: -46.912915 where: bonds (distance) C4'-P energy: -5.802 bonds (distance) P-C4' energy: -13.341 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -9.599 tors. eta vs tors. theta energy: -4.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -180.322777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.322777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.322777 (E_RNA) where: Base-Base interactions energy: -115.264 where: short stacking energy: -50.204 Base-Backbone interact. energy: -0.232 local terms energy: -64.826710 where: bonds (distance) C4'-P energy: -14.137 bonds (distance) P-C4' energy: -14.055 flat angles C4'-P-C4' energy: -14.802 flat angles P-C4'-P energy: -6.249 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: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -166.940809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.940809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.940809 (E_RNA) where: Base-Base interactions energy: -104.893 where: short stacking energy: -42.149 Base-Backbone interact. energy: -0.572 local terms energy: -61.475099 where: bonds (distance) C4'-P energy: -13.745 bonds (distance) P-C4' energy: -12.467 flat angles C4'-P-C4' energy: -15.384 flat angles P-C4'-P energy: -8.927 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: 3, replica: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -171.015921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.015921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.015921 (E_RNA) where: Base-Base interactions energy: -99.394 where: short stacking energy: -57.146 Base-Backbone interact. energy: -1.376 local terms energy: -70.246223 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -13.692 flat angles P-C4'-P energy: -11.603 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: 4, replica: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -152.470136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.470136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.470136 (E_RNA) where: Base-Base interactions energy: -91.766 where: short stacking energy: -50.697 Base-Backbone interact. energy: -0.328 local terms energy: -60.376473 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -11.943 flat angles C4'-P-C4' energy: -15.801 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -11.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -157.464230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.464230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.464230 (E_RNA) where: Base-Base interactions energy: -97.217 where: short stacking energy: -37.915 Base-Backbone interact. energy: -0.303 local terms energy: -59.945135 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -12.839 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -13.022 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: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -115.041487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.041487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.041487 (E_RNA) where: Base-Base interactions energy: -61.519 where: short stacking energy: -40.469 Base-Backbone interact. energy: -0.029 local terms energy: -53.493417 where: bonds (distance) C4'-P energy: -15.193 bonds (distance) P-C4' energy: -10.070 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -7.438 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: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -87.336132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.336132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.336132 (E_RNA) where: Base-Base interactions energy: -45.549 where: short stacking energy: -30.665 Base-Backbone interact. energy: -0.115 local terms energy: -41.672326 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -9.391 flat angles C4'-P-C4' energy: -10.975 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -1.192 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: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -78.655734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.655734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.655734 (E_RNA) where: Base-Base interactions energy: -23.015 where: short stacking energy: -23.515 Base-Backbone interact. energy: -0.055 local terms energy: -55.586022 where: bonds (distance) C4'-P energy: -16.423 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -10.283 flat angles P-C4'-P energy: -9.261 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: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -77.777943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.777943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.777943 (E_RNA) where: Base-Base interactions energy: -23.514 where: short stacking energy: -19.495 Base-Backbone interact. energy: 0.509 local terms energy: -54.772767 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -8.279 tors. eta vs tors. theta energy: -2.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -77.370107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.370107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.370107 (E_RNA) where: Base-Base interactions energy: -29.451 where: short stacking energy: -29.451 Base-Backbone interact. energy: -0.023 local terms energy: -47.896049 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -11.173 flat angles C4'-P-C4' energy: -14.345 flat angles P-C4'-P energy: -6.755 tors. eta vs tors. theta energy: -2.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -187.536353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.536353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.536353 (E_RNA) where: Base-Base interactions energy: -116.036 where: short stacking energy: -59.049 Base-Backbone interact. energy: -0.399 local terms energy: -71.100770 where: bonds (distance) C4'-P energy: -15.873 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -8.824 tors. eta vs tors. theta energy: -16.424 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: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -178.420515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.420515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.420515 (E_RNA) where: Base-Base interactions energy: -114.241 where: short stacking energy: -57.970 Base-Backbone interact. energy: -0.090 local terms energy: -64.089804 where: bonds (distance) C4'-P energy: -16.097 bonds (distance) P-C4' energy: -9.745 flat angles C4'-P-C4' energy: -14.778 flat angles P-C4'-P energy: -7.917 tors. eta vs tors. theta energy: -15.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -159.967726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.967726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.967726 (E_RNA) where: Base-Base interactions energy: -98.654 where: short stacking energy: -51.535 Base-Backbone interact. energy: -0.004 local terms energy: -61.309520 where: bonds (distance) C4'-P energy: -10.496 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -10.759 tors. eta vs tors. theta energy: -13.245 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: 5 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -156.847406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.847406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.847406 (E_RNA) where: Base-Base interactions energy: -91.135 where: short stacking energy: -44.694 Base-Backbone interact. energy: -0.563 local terms energy: -65.150028 where: bonds (distance) C4'-P energy: -14.585 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -14.483 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -14.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -151.442748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.442748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.442748 (E_RNA) where: Base-Base interactions energy: -89.565 where: short stacking energy: -41.411 Base-Backbone interact. energy: -0.186 local terms energy: -61.690905 where: bonds (distance) C4'-P energy: -9.853 bonds (distance) P-C4' energy: -16.347 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -12.349 tors. eta vs tors. theta energy: -9.781 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: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -97.850879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.850879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.850879 (E_RNA) where: Base-Base interactions energy: -52.728 where: short stacking energy: -32.510 Base-Backbone interact. energy: -0.297 local terms energy: -44.825648 where: bonds (distance) C4'-P energy: -10.967 bonds (distance) P-C4' energy: -11.207 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -9.354 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: 7, replica: 10 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -84.362468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.362468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.362468 (E_RNA) where: Base-Base interactions energy: -35.740 where: short stacking energy: -31.045 Base-Backbone interact. energy: 0.150 local terms energy: -48.772324 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -14.537 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -9.843 tors. eta vs tors. theta energy: 0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -83.578011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.578011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.578011 (E_RNA) where: Base-Base interactions energy: -51.555 where: short stacking energy: -27.685 Base-Backbone interact. energy: -0.378 local terms energy: -31.645367 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -8.295 flat angles C4'-P-C4' energy: -9.947 flat angles P-C4'-P energy: 2.553 tors. eta vs tors. theta energy: -3.951 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: 6 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -83.150577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.150577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.150577 (E_RNA) where: Base-Base interactions energy: -34.046 where: short stacking energy: -32.640 Base-Backbone interact. energy: -0.092 local terms energy: -49.013129 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -16.658 flat angles C4'-P-C4' energy: -10.288 flat angles P-C4'-P energy: -8.683 tors. eta vs tors. theta energy: -5.866 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: 270 Temperature: 1.350000 Total energy: -70.843246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.843246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.843246 (E_RNA) where: Base-Base interactions energy: -19.933 where: short stacking energy: -16.241 Base-Backbone interact. energy: -0.131 local terms energy: -50.780034 where: bonds (distance) C4'-P energy: -12.532 bonds (distance) P-C4' energy: -17.140 flat angles C4'-P-C4' energy: -11.668 flat angles P-C4'-P energy: -8.676 tors. eta vs tors. theta energy: -0.763 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: 271 Temperature: 0.900000 Total energy: -186.237149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.237149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.237149 (E_RNA) where: Base-Base interactions energy: -118.046 where: short stacking energy: -63.745 Base-Backbone interact. energy: -0.414 local terms energy: -67.777228 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -7.879 tors. eta vs tors. theta energy: -15.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -177.913044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.913044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.913044 (E_RNA) where: Base-Base interactions energy: -110.837 where: short stacking energy: -53.537 Base-Backbone interact. energy: -0.722 local terms energy: -66.354195 where: bonds (distance) C4'-P energy: -13.377 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -10.396 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -20.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -171.831629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.831629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.831629 (E_RNA) where: Base-Base interactions energy: -110.677 where: short stacking energy: -48.089 Base-Backbone interact. energy: -0.950 local terms energy: -60.204564 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -12.814 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -15.601 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: 3 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -148.806849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.806849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.806849 (E_RNA) where: Base-Base interactions energy: -97.757 where: short stacking energy: -45.973 Base-Backbone interact. energy: -0.346 local terms energy: -50.704476 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -7.575 flat angles C4'-P-C4' energy: -11.614 flat angles P-C4'-P energy: -8.525 tors. eta vs tors. theta energy: -11.706 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: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -139.156771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.156771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.156771 (E_RNA) where: Base-Base interactions energy: -84.276 where: short stacking energy: -32.516 Base-Backbone interact. energy: -0.076 local terms energy: -54.804735 where: bonds (distance) C4'-P energy: -12.325 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -8.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -92.445779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.445779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.445779 (E_RNA) where: Base-Base interactions energy: -39.296 where: short stacking energy: -37.574 Base-Backbone interact. energy: -0.083 local terms energy: -53.066906 where: bonds (distance) C4'-P energy: -15.223 bonds (distance) P-C4' energy: -13.491 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -9.492 tors. eta vs tors. theta energy: -9.321 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: 8 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -88.406526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.406526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.406526 (E_RNA) where: Base-Base interactions energy: -40.811 where: short stacking energy: -32.033 Base-Backbone interact. energy: -0.104 local terms energy: -47.491554 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -11.037 flat angles C4'-P-C4' energy: -9.991 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -8.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -83.378069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.378069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.378069 (E_RNA) where: Base-Base interactions energy: -37.647 where: short stacking energy: -31.055 Base-Backbone interact. energy: -0.143 local terms energy: -45.588050 where: bonds (distance) C4'-P energy: -9.569 bonds (distance) P-C4' energy: -12.163 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -8.967 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: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -62.001312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.001312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.001312 (E_RNA) where: Base-Base interactions energy: -11.979 where: short stacking energy: -11.979 Base-Backbone interact. energy: -0.062 local terms energy: -49.960562 where: bonds (distance) C4'-P energy: -14.017 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -65.028387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.028387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.028387 (E_RNA) where: Base-Base interactions energy: -14.343 where: short stacking energy: -14.169 Base-Backbone interact. energy: 0.216 local terms energy: -50.901473 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -16.189 flat angles C4'-P-C4' energy: -12.808 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -1.680 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: 9 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -176.810043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.810043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.810043 (E_RNA) where: Base-Base interactions energy: -109.050 where: short stacking energy: -53.583 Base-Backbone interact. energy: -0.024 local terms energy: -67.736185 where: bonds (distance) C4'-P energy: -14.908 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -6.902 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: 2, replica: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -182.244966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.244966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.244966 (E_RNA) where: Base-Base interactions energy: -116.755 where: short stacking energy: -62.732 Base-Backbone interact. energy: -0.003 local terms energy: -65.487252 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -13.964 flat angles C4'-P-C4' energy: -14.894 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -16.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -179.301323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.301323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.301323 (E_RNA) where: Base-Base interactions energy: -113.959 where: short stacking energy: -54.915 Base-Backbone interact. energy: -0.027 local terms energy: -65.315247 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -15.309 flat angles C4'-P-C4' energy: -12.102 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -18.612 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: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -160.945444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.945444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.945444 (E_RNA) where: Base-Base interactions energy: -95.506 where: short stacking energy: -41.351 Base-Backbone interact. energy: -0.653 local terms energy: -64.786168 where: bonds (distance) C4'-P energy: -16.051 bonds (distance) P-C4' energy: -14.279 flat angles C4'-P-C4' energy: -15.990 flat angles P-C4'-P energy: -10.356 tors. eta vs tors. theta energy: -8.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -137.464911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.464911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.464911 (E_RNA) where: Base-Base interactions energy: -83.155 where: short stacking energy: -46.837 Base-Backbone interact. energy: -0.335 local terms energy: -53.975402 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -14.226 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -13.245 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: 6, replica: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -87.936570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.936570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.936570 (E_RNA) where: Base-Base interactions energy: -36.241 where: short stacking energy: -31.487 Base-Backbone interact. energy: 1.767 local terms energy: -53.463010 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -11.531 flat angles P-C4'-P energy: -7.803 tors. eta vs tors. theta energy: -6.436 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: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -83.489904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.489904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.489904 (E_RNA) where: Base-Base interactions energy: -44.327 where: short stacking energy: -35.081 Base-Backbone interact. energy: -0.071 local terms energy: -39.092174 where: bonds (distance) C4'-P energy: -6.553 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -84.813734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.813734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.813734 (E_RNA) where: Base-Base interactions energy: -38.859 where: short stacking energy: -25.787 Base-Backbone interact. energy: -0.085 local terms energy: -45.869897 where: bonds (distance) C4'-P energy: -10.197 bonds (distance) P-C4' energy: -11.931 flat angles C4'-P-C4' energy: -12.432 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -1.566 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: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -67.558647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.558647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.558647 (E_RNA) where: Base-Base interactions energy: -32.665 where: short stacking energy: -29.216 Base-Backbone interact. energy: 0.079 local terms energy: -34.972259 where: bonds (distance) C4'-P energy: -15.078 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -2.629 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -2.505 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: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -67.437182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.437182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.437182 (E_RNA) where: Base-Base interactions energy: -16.816 where: short stacking energy: -11.614 Base-Backbone interact. energy: -0.766 local terms energy: -49.854279 where: bonds (distance) C4'-P energy: -15.417 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -10.675 flat angles P-C4'-P energy: -7.791 tors. eta vs tors. theta energy: -1.185 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: 9 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -187.716273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.716273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.716273 (E_RNA) where: Base-Base interactions energy: -121.904 where: short stacking energy: -62.180 Base-Backbone interact. energy: -0.001 local terms energy: -65.810649 where: bonds (distance) C4'-P energy: -15.086 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -11.600 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -17.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -187.316495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.316495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.316495 (E_RNA) where: Base-Base interactions energy: -111.848 where: short stacking energy: -63.253 Base-Backbone interact. energy: -0.000 local terms energy: -75.468246 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -13.861 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: 3, replica: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -179.049912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.049912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.049912 (E_RNA) where: Base-Base interactions energy: -110.989 where: short stacking energy: -54.417 Base-Backbone interact. energy: -0.089 local terms energy: -67.971713 where: bonds (distance) C4'-P energy: -15.162 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -14.811 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -15.838 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: 273 Temperature: 1.050000 Total energy: -173.585626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.585626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.585626 (E_RNA) where: Base-Base interactions energy: -108.597 where: short stacking energy: -55.362 Base-Backbone interact. energy: -0.603 local terms energy: -64.385879 where: bonds (distance) C4'-P energy: -15.078 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -15.545 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -15.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -144.418260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.418260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.418260 (E_RNA) where: Base-Base interactions energy: -88.894 where: short stacking energy: -48.320 Base-Backbone interact. energy: -0.242 local terms energy: -55.282103 where: bonds (distance) C4'-P energy: -11.734 bonds (distance) P-C4' energy: -10.276 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -10.593 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: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -87.615318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.615318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.615318 (E_RNA) where: Base-Base interactions energy: -35.613 where: short stacking energy: -34.746 Base-Backbone interact. energy: -0.106 local terms energy: -51.896870 where: bonds (distance) C4'-P energy: -8.855 bonds (distance) P-C4' energy: -13.776 flat angles C4'-P-C4' energy: -13.812 flat angles P-C4'-P energy: -8.255 tors. eta vs tors. theta energy: -7.198 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: 273 Temperature: 1.200000 Total energy: -81.599819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.599819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.599819 (E_RNA) where: Base-Base interactions energy: -44.111 where: short stacking energy: -24.834 Base-Backbone interact. energy: -0.109 local terms energy: -37.379630 where: bonds (distance) C4'-P energy: -10.784 bonds (distance) P-C4' energy: -9.667 flat angles C4'-P-C4' energy: -10.380 flat angles P-C4'-P energy: -4.767 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: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -82.995053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.995053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.995053 (E_RNA) where: Base-Base interactions energy: -38.341 where: short stacking energy: -27.436 Base-Backbone interact. energy: -0.265 local terms energy: -44.388954 where: bonds (distance) C4'-P energy: -10.968 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -10.620 flat angles P-C4'-P energy: -9.390 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: 9, replica: 6 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -77.379911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.379911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.379911 (E_RNA) where: Base-Base interactions energy: -31.425 where: short stacking energy: -21.250 Base-Backbone interact. energy: -0.114 local terms energy: -45.841189 where: bonds (distance) C4'-P energy: -10.565 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -13.877 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: 0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -73.869027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.869027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.869027 (E_RNA) where: Base-Base interactions energy: -32.520 where: short stacking energy: -23.943 Base-Backbone interact. energy: 0.249 local terms energy: -41.597522 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -9.114 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -173.612410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.612410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.612410 (E_RNA) where: Base-Base interactions energy: -105.865 where: short stacking energy: -51.866 Base-Backbone interact. energy: -0.610 local terms energy: -67.137523 where: bonds (distance) C4'-P energy: -9.000 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -10.955 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: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -180.722411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.722411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.722411 (E_RNA) where: Base-Base interactions energy: -112.944 where: short stacking energy: -59.091 Base-Backbone interact. energy: -1.101 local terms energy: -66.676943 where: bonds (distance) C4'-P energy: -12.055 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -10.973 tors. eta vs tors. theta energy: -15.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -174.130690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.130690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.130690 (E_RNA) where: Base-Base interactions energy: -109.274 where: short stacking energy: -54.989 Base-Backbone interact. energy: -0.816 local terms energy: -64.040869 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -11.236 flat angles C4'-P-C4' energy: -13.125 flat angles P-C4'-P energy: -11.103 tors. eta vs tors. theta energy: -14.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -178.786891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.786891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.786891 (E_RNA) where: Base-Base interactions energy: -111.274 where: short stacking energy: -66.476 Base-Backbone interact. energy: -0.309 local terms energy: -67.204094 where: bonds (distance) C4'-P energy: -9.485 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -16.384 flat angles P-C4'-P energy: -9.989 tors. eta vs tors. theta energy: -20.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -130.777458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.777458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.777458 (E_RNA) where: Base-Base interactions energy: -73.701 where: short stacking energy: -35.030 Base-Backbone interact. energy: -0.635 local terms energy: -56.441249 where: bonds (distance) C4'-P energy: -10.393 bonds (distance) P-C4' energy: -13.827 flat angles C4'-P-C4' energy: -14.033 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -10.324 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: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -88.042747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.042747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.042747 (E_RNA) where: Base-Base interactions energy: -32.960 where: short stacking energy: -32.960 Base-Backbone interact. energy: -0.066 local terms energy: -55.017605 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -11.990 flat angles C4'-P-C4' energy: -11.085 flat angles P-C4'-P energy: -10.932 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -99.669412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.669412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.669412 (E_RNA) where: Base-Base interactions energy: -50.342 where: short stacking energy: -26.914 Base-Backbone interact. energy: -0.227 local terms energy: -49.100010 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -10.828 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -6.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -85.574965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.574965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.574965 (E_RNA) where: Base-Base interactions energy: -37.605 where: short stacking energy: -21.356 Base-Backbone interact. energy: -0.212 local terms energy: -47.758400 where: bonds (distance) C4'-P energy: -10.367 bonds (distance) P-C4' energy: -12.558 flat angles C4'-P-C4' energy: -14.183 flat angles P-C4'-P energy: -6.841 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: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -74.905124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.905124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.905124 (E_RNA) where: Base-Base interactions energy: -33.626 where: short stacking energy: -15.609 Base-Backbone interact. energy: -0.086 local terms energy: -41.193190 where: bonds (distance) C4'-P energy: -8.675 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -72.993711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.993711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.993711 (E_RNA) where: Base-Base interactions energy: -27.535 where: short stacking energy: -22.268 Base-Backbone interact. energy: -0.035 local terms energy: -45.424324 where: bonds (distance) C4'-P energy: -7.597 bonds (distance) P-C4' energy: -11.530 flat angles C4'-P-C4' energy: -11.548 flat angles P-C4'-P energy: -10.948 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -186.285643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.285643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.285643 (E_RNA) where: Base-Base interactions energy: -116.984 where: short stacking energy: -60.599 Base-Backbone interact. energy: -1.126 local terms energy: -68.175567 where: bonds (distance) C4'-P energy: -12.776 bonds (distance) P-C4' energy: -14.727 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -7.967 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: 275 Temperature: 0.950000 Total energy: -159.196583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.196583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.196583 (E_RNA) where: Base-Base interactions energy: -99.613 where: short stacking energy: -42.264 Base-Backbone interact. energy: -0.111 local terms energy: -59.472718 where: bonds (distance) C4'-P energy: -12.241 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -9.853 flat angles P-C4'-P energy: -12.544 tors. eta vs tors. theta energy: -10.749 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: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -172.472725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.472725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.472725 (E_RNA) where: Base-Base interactions energy: -110.044 where: short stacking energy: -59.763 Base-Backbone interact. energy: -0.876 local terms energy: -61.552095 where: bonds (distance) C4'-P energy: -15.404 bonds (distance) P-C4' energy: -12.139 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -8.511 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: 4, replica: 2 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -169.403909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.403909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.403909 (E_RNA) where: Base-Base interactions energy: -107.818 where: short stacking energy: -56.025 Base-Backbone interact. energy: -0.097 local terms energy: -61.488919 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -12.166 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -18.064 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: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -140.501422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.501422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.501422 (E_RNA) where: Base-Base interactions energy: -92.110 where: short stacking energy: -33.997 Base-Backbone interact. energy: -0.431 local terms energy: -47.959789 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -8.679 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -97.515657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.515657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.515657 (E_RNA) where: Base-Base interactions energy: -60.140 where: short stacking energy: -35.160 Base-Backbone interact. energy: -0.178 local terms energy: -37.198512 where: bonds (distance) C4'-P energy: -15.467 bonds (distance) P-C4' energy: -6.077 flat angles C4'-P-C4' energy: -11.799 flat angles P-C4'-P energy: 0.618 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -88.146601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.146601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.146601 (E_RNA) where: Base-Base interactions energy: -40.933 where: short stacking energy: -29.709 Base-Backbone interact. energy: -0.243 local terms energy: -46.971130 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -10.647 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -7.774 tors. eta vs tors. theta energy: -0.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -90.180091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.180091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.180091 (E_RNA) where: Base-Base interactions energy: -40.534 where: short stacking energy: -22.954 Base-Backbone interact. energy: -0.530 local terms energy: -49.116489 where: bonds (distance) C4'-P energy: -12.057 bonds (distance) P-C4' energy: -12.204 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -67.611216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.611216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.611216 (E_RNA) where: Base-Base interactions energy: -24.362 where: short stacking energy: -10.096 Base-Backbone interact. energy: -0.209 local terms energy: -43.039832 where: bonds (distance) C4'-P energy: -8.477 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -11.803 flat angles P-C4'-P energy: -10.926 tors. eta vs tors. theta energy: 2.425 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: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -70.498897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.498897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.498897 (E_RNA) where: Base-Base interactions energy: -27.930 where: short stacking energy: -27.604 Base-Backbone interact. energy: -0.248 local terms energy: -42.320550 where: bonds (distance) C4'-P energy: -8.231 bonds (distance) P-C4' energy: -11.731 flat angles C4'-P-C4' energy: -12.370 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -183.714136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.714136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.714136 (E_RNA) where: Base-Base interactions energy: -116.673 where: short stacking energy: -61.572 Base-Backbone interact. energy: -0.157 local terms energy: -66.884257 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -13.889 flat angles C4'-P-C4' energy: -15.713 flat angles P-C4'-P energy: -7.819 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: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -172.457136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.457136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.457136 (E_RNA) where: Base-Base interactions energy: -120.816 where: short stacking energy: -51.812 Base-Backbone interact. energy: -0.453 local terms energy: -51.187429 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -7.601 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: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -171.790476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.790476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.790476 (E_RNA) where: Base-Base interactions energy: -113.723 where: short stacking energy: -54.671 Base-Backbone interact. energy: -0.001 local terms energy: -58.067126 where: bonds (distance) C4'-P energy: -11.920 bonds (distance) P-C4' energy: -11.844 flat angles C4'-P-C4' energy: -13.654 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -15.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -166.225637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.225637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.225637 (E_RNA) where: Base-Base interactions energy: -103.130 where: short stacking energy: -55.461 Base-Backbone interact. energy: -0.384 local terms energy: -62.712131 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -14.304 flat angles C4'-P-C4' energy: -10.558 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -18.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -109.498779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.498779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.498779 (E_RNA) where: Base-Base interactions energy: -57.027 where: short stacking energy: -34.673 Base-Backbone interact. energy: -0.182 local terms energy: -52.289469 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -15.058 flat angles C4'-P-C4' energy: -9.148 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -6.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -130.911834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.911834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.911834 (E_RNA) where: Base-Base interactions energy: -81.149 where: short stacking energy: -37.781 Base-Backbone interact. energy: -0.013 local terms energy: -49.750125 where: bonds (distance) C4'-P energy: -13.244 bonds (distance) P-C4' energy: -11.269 flat angles C4'-P-C4' energy: -12.788 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -8.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -76.970627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.970627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.970627 (E_RNA) where: Base-Base interactions energy: -30.250 where: short stacking energy: -30.250 Base-Backbone interact. energy: -0.025 local terms energy: -46.696028 where: bonds (distance) C4'-P energy: -9.687 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -11.614 flat angles P-C4'-P energy: -6.509 tors. eta vs tors. theta energy: -6.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -77.835179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.835179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.835179 (E_RNA) where: Base-Base interactions energy: -25.923 where: short stacking energy: -25.923 Base-Backbone interact. energy: -0.005 local terms energy: -51.907181 where: bonds (distance) C4'-P energy: -7.735 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -13.081 flat angles P-C4'-P energy: -8.375 tors. eta vs tors. theta energy: -9.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -74.912879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.912879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.912879 (E_RNA) where: Base-Base interactions energy: -31.898 where: short stacking energy: -21.866 Base-Backbone interact. energy: -0.395 local terms energy: -42.620350 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -12.551 flat angles P-C4'-P energy: -6.466 tors. eta vs tors. theta energy: 3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -80.354659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.354659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.354659 (E_RNA) where: Base-Base interactions energy: -26.967 where: short stacking energy: -26.474 Base-Backbone interact. energy: -0.216 local terms energy: -53.172013 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -10.560 flat angles P-C4'-P energy: -11.819 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: 9 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -185.501532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.501532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.501532 (E_RNA) where: Base-Base interactions energy: -115.852 where: short stacking energy: -54.167 Base-Backbone interact. energy: -0.876 local terms energy: -68.773612 where: bonds (distance) C4'-P energy: -14.668 bonds (distance) P-C4' energy: -9.412 flat angles C4'-P-C4' energy: -15.576 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -19.099 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: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -173.024725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.024725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.024725 (E_RNA) where: Base-Base interactions energy: -104.060 where: short stacking energy: -51.235 Base-Backbone interact. energy: -0.121 local terms energy: -68.843810 where: bonds (distance) C4'-P energy: -15.769 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -9.465 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: 3, replica: 3 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -178.277009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.277009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.277009 (E_RNA) where: Base-Base interactions energy: -116.889 where: short stacking energy: -52.537 Base-Backbone interact. energy: -0.250 local terms energy: -61.137625 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -13.521 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -12.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -171.888701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.888701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.888701 (E_RNA) where: Base-Base interactions energy: -108.478 where: short stacking energy: -52.467 Base-Backbone interact. energy: -0.001 local terms energy: -63.409369 where: bonds (distance) C4'-P energy: -12.312 bonds (distance) P-C4' energy: -14.426 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -16.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -134.572987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.572987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.572987 (E_RNA) where: Base-Base interactions energy: -76.715 where: short stacking energy: -43.464 Base-Backbone interact. energy: -0.103 local terms energy: -57.755622 where: bonds (distance) C4'-P energy: -9.117 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -15.161 flat angles P-C4'-P energy: -9.950 tors. eta vs tors. theta energy: -10.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -138.385494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.385494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.385494 (E_RNA) where: Base-Base interactions energy: -82.810 where: short stacking energy: -46.066 Base-Backbone interact. energy: 0.017 local terms energy: -55.592996 where: bonds (distance) C4'-P energy: -15.856 bonds (distance) P-C4' energy: -11.075 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -9.226 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: 7, replica: 10 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -77.116743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.116743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.116743 (E_RNA) where: Base-Base interactions energy: -35.099 where: short stacking energy: -28.712 Base-Backbone interact. energy: -0.147 local terms energy: -41.870812 where: bonds (distance) C4'-P energy: -4.970 bonds (distance) P-C4' energy: -12.231 flat angles C4'-P-C4' energy: -15.058 flat angles P-C4'-P energy: -8.313 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -81.525451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.525451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.525451 (E_RNA) where: Base-Base interactions energy: -35.724 where: short stacking energy: -35.724 Base-Backbone interact. energy: -0.096 local terms energy: -45.706030 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -9.945 flat angles C4'-P-C4' energy: -11.761 flat angles P-C4'-P energy: -6.372 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -84.661793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.661793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.661793 (E_RNA) where: Base-Base interactions energy: -42.669 where: short stacking energy: -32.255 Base-Backbone interact. energy: -0.002 local terms energy: -41.991291 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -11.596 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: -4.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -74.500616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.500616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.500616 (E_RNA) where: Base-Base interactions energy: -26.603 where: short stacking energy: -26.603 Base-Backbone interact. energy: 0.182 local terms energy: -48.079927 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -11.947 flat angles C4'-P-C4' energy: -11.841 flat angles P-C4'-P energy: -8.135 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -178.212434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.212434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.212434 (E_RNA) where: Base-Base interactions energy: -110.989 where: short stacking energy: -48.808 Base-Backbone interact. energy: -0.773 local terms energy: -66.449916 where: bonds (distance) C4'-P energy: -15.856 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -10.458 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: 2, replica: 1 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -185.478668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.478668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.478668 (E_RNA) where: Base-Base interactions energy: -112.443 where: short stacking energy: -61.196 Base-Backbone interact. energy: -0.620 local terms energy: -72.415158 where: bonds (distance) C4'-P energy: -14.879 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -9.356 tors. eta vs tors. theta energy: -18.428 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: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -172.527224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.527224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.527224 (E_RNA) where: Base-Base interactions energy: -109.809 where: short stacking energy: -59.482 Base-Backbone interact. energy: -0.479 local terms energy: -62.238458 where: bonds (distance) C4'-P energy: -12.470 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -13.693 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -13.696 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: 4, replica: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -169.513195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.513195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.513195 (E_RNA) where: Base-Base interactions energy: -107.703 where: short stacking energy: -65.323 Base-Backbone interact. energy: -0.744 local terms energy: -61.066338 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -11.166 flat angles C4'-P-C4' energy: -8.929 flat angles P-C4'-P energy: -8.897 tors. eta vs tors. theta energy: -18.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -117.366050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.366050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.366050 (E_RNA) where: Base-Base interactions energy: -59.159 where: short stacking energy: -32.443 Base-Backbone interact. energy: -0.210 local terms energy: -57.996944 where: bonds (distance) C4'-P energy: -12.951 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -14.802 flat angles P-C4'-P energy: -9.423 tors. eta vs tors. theta energy: -6.222 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: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -129.954318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.954318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.954318 (E_RNA) where: Base-Base interactions energy: -69.440 where: short stacking energy: -44.719 Base-Backbone interact. energy: -0.092 local terms energy: -60.422041 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -15.659 flat angles C4'-P-C4' energy: -12.602 flat angles P-C4'-P energy: -9.115 tors. eta vs tors. theta energy: -11.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -106.048079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.048079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.048079 (E_RNA) where: Base-Base interactions energy: -57.897 where: short stacking energy: -25.024 Base-Backbone interact. energy: -0.623 local terms energy: -47.527513 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -5.181 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: 8, replica: 10 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -90.474397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.474397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.474397 (E_RNA) where: Base-Base interactions energy: -40.017 where: short stacking energy: -32.160 Base-Backbone interact. energy: -0.018 local terms energy: -50.439958 where: bonds (distance) C4'-P energy: -8.876 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -7.739 tors. eta vs tors. theta energy: -7.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -65.965730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.965730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.965730 (E_RNA) where: Base-Base interactions energy: -14.921 where: short stacking energy: -14.834 Base-Backbone interact. energy: -1.414 local terms energy: -49.630281 where: bonds (distance) C4'-P energy: -13.547 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -69.153534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.153534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.153534 (E_RNA) where: Base-Base interactions energy: -31.128 where: short stacking energy: -12.431 Base-Backbone interact. energy: -0.278 local terms energy: -37.747175 where: bonds (distance) C4'-P energy: -10.073 bonds (distance) P-C4' energy: -13.164 flat angles C4'-P-C4' energy: -10.108 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: 0.549 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: 9 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -175.399929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.399929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.399929 (E_RNA) where: Base-Base interactions energy: -104.667 where: short stacking energy: -62.185 Base-Backbone interact. energy: -0.048 local terms energy: -70.684840 where: bonds (distance) C4'-P energy: -13.653 bonds (distance) P-C4' energy: -13.320 flat angles C4'-P-C4' energy: -15.128 flat angles P-C4'-P energy: -10.813 tors. eta vs tors. theta energy: -17.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -172.458695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.458695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.458695 (E_RNA) where: Base-Base interactions energy: -112.385 where: short stacking energy: -44.171 Base-Backbone interact. energy: -0.925 local terms energy: -59.148518 where: bonds (distance) C4'-P energy: -13.783 bonds (distance) P-C4' energy: -13.570 flat angles C4'-P-C4' energy: -15.823 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -8.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -172.913522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.913522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.913522 (E_RNA) where: Base-Base interactions energy: -103.026 where: short stacking energy: -51.863 Base-Backbone interact. energy: -0.166 local terms energy: -69.722046 where: bonds (distance) C4'-P energy: -16.258 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -13.511 flat angles P-C4'-P energy: -9.807 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: 4, replica: 3 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -163.593975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.593975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.593975 (E_RNA) where: Base-Base interactions energy: -98.323 where: short stacking energy: -52.919 Base-Backbone interact. energy: -0.092 local terms energy: -65.179154 where: bonds (distance) C4'-P energy: -8.639 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -14.812 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -15.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -116.202399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.202399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.202399 (E_RNA) where: Base-Base interactions energy: -62.056 where: short stacking energy: -35.459 Base-Backbone interact. energy: -0.791 local terms energy: -53.355486 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -11.085 flat angles C4'-P-C4' energy: -11.012 flat angles P-C4'-P energy: -7.659 tors. eta vs tors. theta energy: -10.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -141.031057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.031057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.031057 (E_RNA) where: Base-Base interactions energy: -82.476 where: short stacking energy: -40.071 Base-Backbone interact. energy: 0.604 local terms energy: -59.158448 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -10.865 flat angles C4'-P-C4' energy: -12.983 flat angles P-C4'-P energy: -11.541 tors. eta vs tors. theta energy: -11.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -95.507879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.507879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.507879 (E_RNA) where: Base-Base interactions energy: -47.498 where: short stacking energy: -24.288 Base-Backbone interact. energy: -0.032 local terms energy: -47.978318 where: bonds (distance) C4'-P energy: -10.019 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -9.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -73.416822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.416822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.416822 (E_RNA) where: Base-Base interactions energy: -24.640 where: short stacking energy: -21.847 Base-Backbone interact. energy: -0.133 local terms energy: -48.644366 where: bonds (distance) C4'-P energy: -9.836 bonds (distance) P-C4' energy: -14.611 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -10.652 tors. eta vs tors. theta energy: -1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -83.436642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.436642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.436642 (E_RNA) where: Base-Base interactions energy: -27.158 where: short stacking energy: -19.956 Base-Backbone interact. energy: -0.097 local terms energy: -56.181688 where: bonds (distance) C4'-P energy: -15.393 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -10.746 tors. eta vs tors. theta energy: -1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -64.791239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.791239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.791239 (E_RNA) where: Base-Base interactions energy: -20.347 where: short stacking energy: -19.195 Base-Backbone interact. energy: -0.043 local terms energy: -44.401094 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -14.875 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: 2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -174.415699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.415699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.415699 (E_RNA) where: Base-Base interactions energy: -108.357 where: short stacking energy: -47.509 Base-Backbone interact. energy: -0.539 local terms energy: -65.519945 where: bonds (distance) C4'-P energy: -14.116 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -16.514 flat angles P-C4'-P energy: -7.005 tors. eta vs tors. theta energy: -12.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -169.622958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.622958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.622958 (E_RNA) where: Base-Base interactions energy: -109.650 where: short stacking energy: -55.664 Base-Backbone interact. energy: -0.009 local terms energy: -59.963607 where: bonds (distance) C4'-P energy: -10.723 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -10.371 tors. eta vs tors. theta energy: -11.581 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: 1 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -180.253407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.253407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.253407 (E_RNA) where: Base-Base interactions energy: -120.555 where: short stacking energy: -57.250 Base-Backbone interact. energy: -0.548 local terms energy: -59.150307 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -14.700 flat angles C4'-P-C4' energy: -12.799 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -12.843 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: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -155.282613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.282613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.282613 (E_RNA) where: Base-Base interactions energy: -90.770 where: short stacking energy: -41.386 Base-Backbone interact. energy: -0.143 local terms energy: -64.369928 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -14.412 flat angles C4'-P-C4' energy: -14.280 flat angles P-C4'-P energy: -12.257 tors. eta vs tors. theta energy: -10.008 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: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -141.974536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.974536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.974536 (E_RNA) where: Base-Base interactions energy: -93.628 where: short stacking energy: -45.898 Base-Backbone interact. energy: -0.076 local terms energy: -48.270308 where: bonds (distance) C4'-P energy: -11.825 bonds (distance) P-C4' energy: -14.935 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -7.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -94.799582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.799582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.799582 (E_RNA) where: Base-Base interactions energy: -41.368 where: short stacking energy: -41.368 Base-Backbone interact. energy: -0.001 local terms energy: -53.430403 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -11.153 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: 7, replica: 6 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -87.968013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.968013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.968013 (E_RNA) where: Base-Base interactions energy: -28.853 where: short stacking energy: -28.853 Base-Backbone interact. energy: 0.240 local terms energy: -59.354682 where: bonds (distance) C4'-P energy: -9.282 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -9.329 tors. eta vs tors. theta energy: -11.598 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: 8 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -77.478765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.478765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.478765 (E_RNA) where: Base-Base interactions energy: -33.755 where: short stacking energy: -32.498 Base-Backbone interact. energy: -0.414 local terms energy: -43.309164 where: bonds (distance) C4'-P energy: -10.011 bonds (distance) P-C4' energy: -7.687 flat angles C4'-P-C4' energy: -10.587 flat angles P-C4'-P energy: -10.380 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -89.066824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.066824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.066824 (E_RNA) where: Base-Base interactions energy: -44.649 where: short stacking energy: -33.679 Base-Backbone interact. energy: -0.726 local terms energy: -43.691407 where: bonds (distance) C4'-P energy: -12.475 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -8.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -67.736500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.736500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.736500 (E_RNA) where: Base-Base interactions energy: -19.558 where: short stacking energy: -19.558 Base-Backbone interact. energy: -0.111 local terms energy: -48.066889 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -14.497 flat angles C4'-P-C4' energy: -13.818 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -179.240135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.240135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.240135 (E_RNA) where: Base-Base interactions energy: -109.027 where: short stacking energy: -47.756 Base-Backbone interact. energy: -0.812 local terms energy: -69.401946 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -12.396 flat angles P-C4'-P energy: -10.288 tors. eta vs tors. theta energy: -15.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -182.623662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.623662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.623662 (E_RNA) where: Base-Base interactions energy: -122.252 where: short stacking energy: -45.979 Base-Backbone interact. energy: -0.106 local terms energy: -60.265537 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -11.349 flat angles C4'-P-C4' energy: -10.740 flat angles P-C4'-P energy: -13.553 tors. eta vs tors. theta energy: -11.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -172.251998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.251998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.251998 (E_RNA) where: Base-Base interactions energy: -105.323 where: short stacking energy: -57.038 Base-Backbone interact. energy: -0.900 local terms energy: -66.029128 where: bonds (distance) C4'-P energy: -12.144 bonds (distance) P-C4' energy: -12.390 flat angles C4'-P-C4' energy: -14.382 flat angles P-C4'-P energy: -9.297 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: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -154.411800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.411800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.411800 (E_RNA) where: Base-Base interactions energy: -92.192 where: short stacking energy: -43.747 Base-Backbone interact. energy: -1.023 local terms energy: -61.196341 where: bonds (distance) C4'-P energy: -10.606 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -14.736 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -12.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -174.014033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.014033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.014033 (E_RNA) where: Base-Base interactions energy: -113.695 where: short stacking energy: -58.605 Base-Backbone interact. energy: -0.714 local terms energy: -59.604907 where: bonds (distance) C4'-P energy: -8.571 bonds (distance) P-C4' energy: -10.915 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -7.788 tors. eta vs tors. theta energy: -19.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -95.549180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.549180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.549180 (E_RNA) where: Base-Base interactions energy: -47.557 where: short stacking energy: -33.295 Base-Backbone interact. energy: -0.686 local terms energy: -47.305875 where: bonds (distance) C4'-P energy: -13.629 bonds (distance) P-C4' energy: -6.260 flat angles C4'-P-C4' energy: -15.187 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -6.051 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: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -80.907057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.907057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.907057 (E_RNA) where: Base-Base interactions energy: -33.962 where: short stacking energy: -27.609 Base-Backbone interact. energy: -0.079 local terms energy: -46.866213 where: bonds (distance) C4'-P energy: -9.672 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -10.078 flat angles P-C4'-P energy: -10.499 tors. eta vs tors. theta energy: -2.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -86.789630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.789630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.789630 (E_RNA) where: Base-Base interactions energy: -41.331 where: short stacking energy: -26.015 Base-Backbone interact. energy: -0.109 local terms energy: -45.349889 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -11.635 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: 0.360 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -83.192761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.192761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.192761 (E_RNA) where: Base-Base interactions energy: -36.724 where: short stacking energy: -21.732 Base-Backbone interact. energy: -0.027 local terms energy: -46.441760 where: bonds (distance) C4'-P energy: -10.644 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -5.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -64.109207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.109207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.109207 (E_RNA) where: Base-Base interactions energy: -24.836 where: short stacking energy: -20.754 Base-Backbone interact. energy: 0.535 local terms energy: -39.807588 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -8.207 flat angles P-C4'-P energy: -8.243 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: 282 Temperature: 0.900000 Total energy: -184.227671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.227671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.227671 (E_RNA) where: Base-Base interactions energy: -119.215 where: short stacking energy: -56.272 Base-Backbone interact. energy: -0.331 local terms energy: -64.682125 where: bonds (distance) C4'-P energy: -14.664 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -12.324 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -15.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -170.565347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.565347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.565347 (E_RNA) where: Base-Base interactions energy: -101.384 where: short stacking energy: -58.514 Base-Backbone interact. energy: -0.358 local terms energy: -68.823629 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -14.994 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -16.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -168.140446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.140446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.140446 (E_RNA) where: Base-Base interactions energy: -98.137 where: short stacking energy: -46.985 Base-Backbone interact. energy: -0.306 local terms energy: -69.697408 where: bonds (distance) C4'-P energy: -15.803 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -18.053 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: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -149.701781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.701781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.701781 (E_RNA) where: Base-Base interactions energy: -84.847 where: short stacking energy: -50.584 Base-Backbone interact. energy: -0.055 local terms energy: -64.799257 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -14.952 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -16.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -167.401341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.401341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.401341 (E_RNA) where: Base-Base interactions energy: -114.485 where: short stacking energy: -56.110 Base-Backbone interact. energy: -0.107 local terms energy: -52.810052 where: bonds (distance) C4'-P energy: -9.807 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -14.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -90.139848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.139848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.139848 (E_RNA) where: Base-Base interactions energy: -33.312 where: short stacking energy: -33.312 Base-Backbone interact. energy: -0.119 local terms energy: -56.708980 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -13.189 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -7.609 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: 282 Temperature: 1.200000 Total energy: -71.695393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.695393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.695393 (E_RNA) where: Base-Base interactions energy: -26.998 where: short stacking energy: -26.998 Base-Backbone interact. energy: -0.209 local terms energy: -44.489117 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -8.596 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: 8, replica: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -76.880132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.880132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.880132 (E_RNA) where: Base-Base interactions energy: -35.649 where: short stacking energy: -22.284 Base-Backbone interact. energy: -0.122 local terms energy: -41.108826 where: bonds (distance) C4'-P energy: -14.576 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -6.884 tors. eta vs tors. theta energy: 2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -68.439805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.439805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.439805 (E_RNA) where: Base-Base interactions energy: -26.318 where: short stacking energy: -17.994 Base-Backbone interact. energy: -0.351 local terms energy: -41.770949 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -11.819 flat angles C4'-P-C4' energy: -12.971 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: 0.387 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: 10, replica: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -81.009953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.009953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.009953 (E_RNA) where: Base-Base interactions energy: -34.972 where: short stacking energy: -14.353 Base-Backbone interact. energy: -0.465 local terms energy: -45.572757 where: bonds (distance) C4'-P energy: -12.621 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -11.819 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: 4.333 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: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -184.869823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.869823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.869823 (E_RNA) where: Base-Base interactions energy: -119.819 where: short stacking energy: -55.755 Base-Backbone interact. energy: -0.527 local terms energy: -64.523793 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -15.210 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -14.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -172.745524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.745524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.745524 (E_RNA) where: Base-Base interactions energy: -119.131 where: short stacking energy: -51.649 Base-Backbone interact. energy: -0.177 local terms energy: -53.437029 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -15.589 flat angles C4'-P-C4' energy: -10.777 flat angles P-C4'-P energy: -10.878 tors. eta vs tors. theta energy: -9.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -161.488305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.488305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.488305 (E_RNA) where: Base-Base interactions energy: -100.786 where: short stacking energy: -42.109 Base-Backbone interact. energy: -1.077 local terms energy: -59.625070 where: bonds (distance) C4'-P energy: -14.428 bonds (distance) P-C4' energy: -14.994 flat angles C4'-P-C4' energy: -10.110 flat angles P-C4'-P energy: -6.635 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: 4, replica: 7 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -140.811153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.811153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.811153 (E_RNA) where: Base-Base interactions energy: -77.970 where: short stacking energy: -40.377 Base-Backbone interact. energy: -0.777 local terms energy: -62.063922 where: bonds (distance) C4'-P energy: -12.358 bonds (distance) P-C4' energy: -12.922 flat angles C4'-P-C4' energy: -13.731 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: -13.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -160.225162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.225162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.225162 (E_RNA) where: Base-Base interactions energy: -94.419 where: short stacking energy: -48.955 Base-Backbone interact. energy: -0.006 local terms energy: -65.800482 where: bonds (distance) C4'-P energy: -12.757 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -13.575 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -15.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -116.721004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.721004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.721004 (E_RNA) where: Base-Base interactions energy: -67.077 where: short stacking energy: -34.353 Base-Backbone interact. energy: -0.008 local terms energy: -49.636006 where: bonds (distance) C4'-P energy: -10.412 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -4.824 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: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -83.953118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.953118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.953118 (E_RNA) where: Base-Base interactions energy: -33.000 where: short stacking energy: -33.000 Base-Backbone interact. energy: 0.068 local terms energy: -51.021104 where: bonds (distance) C4'-P energy: -11.105 bonds (distance) P-C4' energy: -14.636 flat angles C4'-P-C4' energy: -10.424 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -9.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -94.773217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.773217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.773217 (E_RNA) where: Base-Base interactions energy: -49.223 where: short stacking energy: -24.623 Base-Backbone interact. energy: -0.438 local terms energy: -45.112538 where: bonds (distance) C4'-P energy: -12.746 bonds (distance) P-C4' energy: -12.212 flat angles C4'-P-C4' energy: -10.209 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -78.544307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.544307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.544307 (E_RNA) where: Base-Base interactions energy: -32.512 where: short stacking energy: -19.147 Base-Backbone interact. energy: -0.778 local terms energy: -45.254364 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -12.757 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -64.698566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.698566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.698566 (E_RNA) where: Base-Base interactions energy: -19.736 where: short stacking energy: -19.736 Base-Backbone interact. energy: -0.230 local terms energy: -44.732991 where: bonds (distance) C4'-P energy: -9.936 bonds (distance) P-C4' energy: -10.887 flat angles C4'-P-C4' energy: -12.295 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -178.472986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.472986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.472986 (E_RNA) where: Base-Base interactions energy: -122.599 where: short stacking energy: -55.534 Base-Backbone interact. energy: -1.105 local terms energy: -54.769447 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -9.703 flat angles C4'-P-C4' energy: -12.332 flat angles P-C4'-P energy: -5.929 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: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -185.318956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.318956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.318956 (E_RNA) where: Base-Base interactions energy: -122.988 where: short stacking energy: -40.416 Base-Backbone interact. energy: -0.639 local terms energy: -61.691290 where: bonds (distance) C4'-P energy: -14.814 bonds (distance) P-C4' energy: -15.169 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -8.801 tors. eta vs tors. theta energy: -9.600 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: 3, replica: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -175.440249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.440249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.440249 (E_RNA) where: Base-Base interactions energy: -111.519 where: short stacking energy: -51.152 Base-Backbone interact. energy: -0.988 local terms energy: -62.933979 where: bonds (distance) C4'-P energy: -14.880 bonds (distance) P-C4' energy: -12.601 flat angles C4'-P-C4' energy: -15.295 flat angles P-C4'-P energy: -8.378 tors. eta vs tors. theta energy: -11.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -141.012687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.012687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.012687 (E_RNA) where: Base-Base interactions energy: -87.798 where: short stacking energy: -42.506 Base-Backbone interact. energy: -0.240 local terms energy: -52.975083 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -12.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -152.209682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.209682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.209682 (E_RNA) where: Base-Base interactions energy: -93.883 where: short stacking energy: -48.289 Base-Backbone interact. energy: -0.003 local terms energy: -58.323382 where: bonds (distance) C4'-P energy: -10.939 bonds (distance) P-C4' energy: -14.307 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -6.961 tors. eta vs tors. theta energy: -13.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -127.662611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.662611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.662611 (E_RNA) where: Base-Base interactions energy: -74.768 where: short stacking energy: -33.959 Base-Backbone interact. energy: 0.262 local terms energy: -53.156401 where: bonds (distance) C4'-P energy: -15.608 bonds (distance) P-C4' energy: -12.497 flat angles C4'-P-C4' energy: -13.680 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -0.520 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: 8 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -90.631966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.631966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.631966 (E_RNA) where: Base-Base interactions energy: -43.899 where: short stacking energy: -21.708 Base-Backbone interact. energy: -0.195 local terms energy: -46.537925 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -13.086 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -8.595 tors. eta vs tors. theta energy: 0.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -77.803258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.803258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.803258 (E_RNA) where: Base-Base interactions energy: -32.138 where: short stacking energy: -32.138 Base-Backbone interact. energy: -0.010 local terms energy: -45.655309 where: bonds (distance) C4'-P energy: -12.139 bonds (distance) P-C4' energy: -9.768 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -4.761 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: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -68.093083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.093083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.093083 (E_RNA) where: Base-Base interactions energy: -27.453 where: short stacking energy: -21.609 Base-Backbone interact. energy: 0.491 local terms energy: -41.130691 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -10.675 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -9.132 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: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -73.616296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.616296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.616296 (E_RNA) where: Base-Base interactions energy: -23.763 where: short stacking energy: -18.379 Base-Backbone interact. energy: -0.405 local terms energy: -49.449013 where: bonds (distance) C4'-P energy: -12.491 bonds (distance) P-C4' energy: -13.413 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -12.800 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -186.007967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.007967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.007967 (E_RNA) where: Base-Base interactions energy: -119.553 where: short stacking energy: -60.860 Base-Backbone interact. energy: -0.577 local terms energy: -65.878072 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -15.542 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -18.628 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: 9 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -173.683174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.683174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.683174 (E_RNA) where: Base-Base interactions energy: -106.873 where: short stacking energy: -49.457 Base-Backbone interact. energy: -0.046 local terms energy: -66.763623 where: bonds (distance) C4'-P energy: -14.954 bonds (distance) P-C4' energy: -13.208 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -15.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -181.805805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.805805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.805805 (E_RNA) where: Base-Base interactions energy: -120.090 where: short stacking energy: -48.791 Base-Backbone interact. energy: -0.454 local terms energy: -61.261900 where: bonds (distance) C4'-P energy: -14.597 bonds (distance) P-C4' energy: -12.600 flat angles C4'-P-C4' energy: -13.589 flat angles P-C4'-P energy: -7.410 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: 4, replica: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -174.707807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.707807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.707807 (E_RNA) where: Base-Base interactions energy: -121.590 where: short stacking energy: -53.339 Base-Backbone interact. energy: -0.112 local terms energy: -53.006226 where: bonds (distance) C4'-P energy: -14.217 bonds (distance) P-C4' energy: -14.372 flat angles C4'-P-C4' energy: -10.349 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -10.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -148.782566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.782566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.782566 (E_RNA) where: Base-Base interactions energy: -86.325 where: short stacking energy: -29.931 Base-Backbone interact. energy: -0.860 local terms energy: -61.597006 where: bonds (distance) C4'-P energy: -13.608 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -14.445 flat angles P-C4'-P energy: -8.079 tors. eta vs tors. theta energy: -12.239 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: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -130.086222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.086222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.086222 (E_RNA) where: Base-Base interactions energy: -80.246 where: short stacking energy: -41.132 Base-Backbone interact. energy: -0.522 local terms energy: -49.318002 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -10.648 flat angles P-C4'-P energy: -7.161 tors. eta vs tors. theta energy: -7.226 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: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -82.111387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.111387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.111387 (E_RNA) where: Base-Base interactions energy: -36.712 where: short stacking energy: -31.882 Base-Backbone interact. energy: -0.172 local terms energy: -45.227334 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -10.373 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -81.431049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.431049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.431049 (E_RNA) where: Base-Base interactions energy: -34.676 where: short stacking energy: -30.822 Base-Backbone interact. energy: -0.564 local terms energy: -46.190843 where: bonds (distance) C4'-P energy: -12.578 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -1.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -76.837139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.837139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.837139 (E_RNA) where: Base-Base interactions energy: -31.801 where: short stacking energy: -31.801 Base-Backbone interact. energy: -0.054 local terms energy: -44.981781 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -12.413 flat angles C4'-P-C4' energy: -10.431 flat angles P-C4'-P energy: -1.891 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: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -91.185267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.185267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.185267 (E_RNA) where: Base-Base interactions energy: -39.455 where: short stacking energy: -26.668 Base-Backbone interact. energy: -0.102 local terms energy: -51.628272 where: bonds (distance) C4'-P energy: -11.025 bonds (distance) P-C4' energy: -10.414 flat angles C4'-P-C4' energy: -12.265 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -9.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -187.388136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.388136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.388136 (E_RNA) where: Base-Base interactions energy: -121.244 where: short stacking energy: -53.640 Base-Backbone interact. energy: -0.643 local terms energy: -65.500986 where: bonds (distance) C4'-P energy: -11.166 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -15.797 flat angles P-C4'-P energy: -7.227 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: 2, replica: 9 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -187.658579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.658579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.658579 (E_RNA) where: Base-Base interactions energy: -119.413 where: short stacking energy: -66.468 Base-Backbone interact. energy: -0.002 local terms energy: -68.243833 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -14.655 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: -16.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -182.053637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.053637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.053637 (E_RNA) where: Base-Base interactions energy: -129.552 where: short stacking energy: -44.672 Base-Backbone interact. energy: -0.750 local terms energy: -51.751461 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -12.918 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -5.929 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: 4, replica: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -163.875945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.875945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.875945 (E_RNA) where: Base-Base interactions energy: -102.998 where: short stacking energy: -49.003 Base-Backbone interact. energy: -0.128 local terms energy: -60.750125 where: bonds (distance) C4'-P energy: -13.017 bonds (distance) P-C4' energy: -15.398 flat angles C4'-P-C4' energy: -12.928 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -14.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -123.223272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.223272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.223272 (E_RNA) where: Base-Base interactions energy: -73.795 where: short stacking energy: -41.212 Base-Backbone interact. energy: -0.073 local terms energy: -49.355285 where: bonds (distance) C4'-P energy: -12.517 bonds (distance) P-C4' energy: -15.383 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -9.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -133.549264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.549264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.549264 (E_RNA) where: Base-Base interactions energy: -75.590 where: short stacking energy: -41.370 Base-Backbone interact. energy: -0.164 local terms energy: -57.795185 where: bonds (distance) C4'-P energy: -10.008 bonds (distance) P-C4' energy: -14.623 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -9.115 tors. eta vs tors. theta energy: -10.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -82.898282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.898282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.898282 (E_RNA) where: Base-Base interactions energy: -32.366 where: short stacking energy: -22.569 Base-Backbone interact. energy: -0.242 local terms energy: -50.290248 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -15.809 flat angles C4'-P-C4' energy: -11.617 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: 2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -79.097812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.097812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.097812 (E_RNA) where: Base-Base interactions energy: -26.275 where: short stacking energy: -25.878 Base-Backbone interact. energy: -0.031 local terms energy: -52.791116 where: bonds (distance) C4'-P energy: -10.847 bonds (distance) P-C4' energy: -15.457 flat angles C4'-P-C4' energy: -15.347 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -82.907215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.907215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.907215 (E_RNA) where: Base-Base interactions energy: -37.682 where: short stacking energy: -37.682 Base-Backbone interact. energy: -0.028 local terms energy: -45.196971 where: bonds (distance) C4'-P energy: -8.708 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -8.169 flat angles P-C4'-P energy: -8.520 tors. eta vs tors. theta energy: -7.134 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: 286 Temperature: 1.350000 Total energy: -65.354789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.354789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.354789 (E_RNA) where: Base-Base interactions energy: -30.527 where: short stacking energy: -20.139 Base-Backbone interact. energy: 1.969 local terms energy: -36.796967 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -5.215 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -4.858 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: 1, replica: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -189.546301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.546301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.546301 (E_RNA) where: Base-Base interactions energy: -118.131 where: short stacking energy: -60.025 Base-Backbone interact. energy: -0.390 local terms energy: -71.024598 where: bonds (distance) C4'-P energy: -16.899 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -11.017 flat angles P-C4'-P energy: -10.382 tors. eta vs tors. theta energy: -16.564 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: 9 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -186.999635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.999635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.999635 (E_RNA) where: Base-Base interactions energy: -119.963 where: short stacking energy: -64.680 Base-Backbone interact. energy: -0.059 local terms energy: -66.977532 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -12.030 flat angles P-C4'-P energy: -6.999 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: 3, replica: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -178.573958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.573958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.573958 (E_RNA) where: Base-Base interactions energy: -119.252 where: short stacking energy: -55.206 Base-Backbone interact. energy: -0.109 local terms energy: -59.213234 where: bonds (distance) C4'-P energy: -10.357 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -11.114 flat angles P-C4'-P energy: -9.574 tors. eta vs tors. theta energy: -13.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -175.191629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.191629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.191629 (E_RNA) where: Base-Base interactions energy: -114.391 where: short stacking energy: -57.940 Base-Backbone interact. energy: -0.154 local terms energy: -60.646191 where: bonds (distance) C4'-P energy: -10.979 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -8.242 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: 5, replica: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -147.643663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.643663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.643663 (E_RNA) where: Base-Base interactions energy: -94.114 where: short stacking energy: -42.477 Base-Backbone interact. energy: -0.151 local terms energy: -53.379003 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -12.572 flat angles C4'-P-C4' energy: -16.205 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -9.705 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: 7 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -138.119412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.119412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.119412 (E_RNA) where: Base-Base interactions energy: -79.795 where: short stacking energy: -48.482 Base-Backbone interact. energy: -0.637 local terms energy: -57.687742 where: bonds (distance) C4'-P energy: -13.503 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -11.154 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -14.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -87.818374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.818374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.818374 (E_RNA) where: Base-Base interactions energy: -29.192 where: short stacking energy: -29.192 Base-Backbone interact. energy: -0.212 local terms energy: -58.414308 where: bonds (distance) C4'-P energy: -14.593 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -11.401 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -122.767793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.767793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.767793 (E_RNA) where: Base-Base interactions energy: -67.428 where: short stacking energy: -30.807 Base-Backbone interact. energy: 0.472 local terms energy: -55.812168 where: bonds (distance) C4'-P energy: -12.085 bonds (distance) P-C4' energy: -15.043 flat angles C4'-P-C4' energy: -14.404 flat angles P-C4'-P energy: -8.792 tors. eta vs tors. theta energy: -5.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -74.514634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.514634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.514634 (E_RNA) where: Base-Base interactions energy: -26.716 where: short stacking energy: -23.426 Base-Backbone interact. energy: -0.025 local terms energy: -47.773197 where: bonds (distance) C4'-P energy: -9.506 bonds (distance) P-C4' energy: -16.707 flat angles C4'-P-C4' energy: -10.838 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -7.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -65.566520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.566520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.566520 (E_RNA) where: Base-Base interactions energy: -21.997 where: short stacking energy: -21.997 Base-Backbone interact. energy: 0.137 local terms energy: -43.707231 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -10.969 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: 0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -182.371146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.371146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.371146 (E_RNA) where: Base-Base interactions energy: -111.370 where: short stacking energy: -56.100 Base-Backbone interact. energy: -0.019 local terms energy: -70.982217 where: bonds (distance) C4'-P energy: -15.617 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -12.659 flat angles P-C4'-P energy: -12.211 tors. eta vs tors. theta energy: -13.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -177.456006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.456006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.456006 (E_RNA) where: Base-Base interactions energy: -124.327 where: short stacking energy: -50.857 Base-Backbone interact. energy: -0.428 local terms energy: -52.701138 where: bonds (distance) C4'-P energy: -10.499 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -11.326 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -13.398 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: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -173.723272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.723272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.723272 (E_RNA) where: Base-Base interactions energy: -113.739 where: short stacking energy: -51.690 Base-Backbone interact. energy: -0.047 local terms energy: -59.936750 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -11.162 tors. eta vs tors. theta energy: -10.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -152.416277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.416277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.416277 (E_RNA) where: Base-Base interactions energy: -94.289 where: short stacking energy: -51.048 Base-Backbone interact. energy: -0.075 local terms energy: -58.052193 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -10.158 flat angles C4'-P-C4' energy: -10.990 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -14.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -152.060275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.060275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.060275 (E_RNA) where: Base-Base interactions energy: -91.280 where: short stacking energy: -45.546 Base-Backbone interact. energy: -0.097 local terms energy: -60.683693 where: bonds (distance) C4'-P energy: -11.758 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -14.277 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -12.024 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: 7 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -125.174685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.174685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.174685 (E_RNA) where: Base-Base interactions energy: -74.657 where: short stacking energy: -34.754 Base-Backbone interact. energy: -0.252 local terms energy: -50.266041 where: bonds (distance) C4'-P energy: -9.870 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -11.998 flat angles P-C4'-P energy: -11.926 tors. eta vs tors. theta energy: -6.665 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: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -108.914606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.914606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.914606 (E_RNA) where: Base-Base interactions energy: -57.217 where: short stacking energy: -29.891 Base-Backbone interact. energy: -0.064 local terms energy: -51.633645 where: bonds (distance) C4'-P energy: -13.104 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -10.298 flat angles P-C4'-P energy: -9.729 tors. eta vs tors. theta energy: -5.964 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: 8 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -83.730567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.730567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.730567 (E_RNA) where: Base-Base interactions energy: -38.309 where: short stacking energy: -18.373 Base-Backbone interact. energy: 0.416 local terms energy: -45.837406 where: bonds (distance) C4'-P energy: -10.789 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -10.207 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -3.987 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: 6 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -69.313471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.313471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.313471 (E_RNA) where: Base-Base interactions energy: -23.732 where: short stacking energy: -19.876 Base-Backbone interact. energy: -0.093 local terms energy: -45.488447 where: bonds (distance) C4'-P energy: -9.965 bonds (distance) P-C4' energy: -13.350 flat angles C4'-P-C4' energy: -12.203 flat angles P-C4'-P energy: -8.143 tors. eta vs tors. theta energy: -1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -69.840763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.840763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.840763 (E_RNA) where: Base-Base interactions energy: -23.805 where: short stacking energy: -19.836 Base-Backbone interact. energy: -0.282 local terms energy: -45.754146 where: bonds (distance) C4'-P energy: -9.667 bonds (distance) P-C4' energy: -17.137 flat angles C4'-P-C4' energy: -9.010 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -182.864779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.864779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.864779 (E_RNA) where: Base-Base interactions energy: -114.115 where: short stacking energy: -66.036 Base-Backbone interact. energy: -0.002 local terms energy: -68.747622 where: bonds (distance) C4'-P energy: -13.841 bonds (distance) P-C4' energy: -14.762 flat angles C4'-P-C4' energy: -14.195 flat angles P-C4'-P energy: -6.789 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: 2, replica: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -165.006579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.006579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.006579 (E_RNA) where: Base-Base interactions energy: -111.562 where: short stacking energy: -38.875 Base-Backbone interact. energy: -0.773 local terms energy: -52.671608 where: bonds (distance) C4'-P energy: -11.782 bonds (distance) P-C4' energy: -12.720 flat angles C4'-P-C4' energy: -13.556 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -8.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -169.943631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.943631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.943631 (E_RNA) where: Base-Base interactions energy: -112.652 where: short stacking energy: -46.221 Base-Backbone interact. energy: -0.878 local terms energy: -56.413498 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -12.646 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -12.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -153.554758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.554758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.554758 (E_RNA) where: Base-Base interactions energy: -101.003 where: short stacking energy: -42.489 Base-Backbone interact. energy: -0.442 local terms energy: -52.110444 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -9.051 flat angles C4'-P-C4' energy: -11.519 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -10.175 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: 3 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -159.884324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.884324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.884324 (E_RNA) where: Base-Base interactions energy: -92.761 where: short stacking energy: -46.178 Base-Backbone interact. energy: -0.009 local terms energy: -67.114397 where: bonds (distance) C4'-P energy: -13.599 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -7.779 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: 6, replica: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -136.386307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.386307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.386307 (E_RNA) where: Base-Base interactions energy: -75.772 where: short stacking energy: -33.680 Base-Backbone interact. energy: -0.390 local terms energy: -60.224100 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -13.224 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -14.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -87.414528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.414528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.414528 (E_RNA) where: Base-Base interactions energy: -41.629 where: short stacking energy: -36.752 Base-Backbone interact. energy: -0.113 local terms energy: -45.672501 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -13.513 flat angles C4'-P-C4' energy: -12.103 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -5.699 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: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -78.579230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.579230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.579230 (E_RNA) where: Base-Base interactions energy: -36.725 where: short stacking energy: -24.165 Base-Backbone interact. energy: -0.114 local terms energy: -41.740448 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -10.887 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -6.655 tors. eta vs tors. theta energy: -0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -84.124266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.124266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.124266 (E_RNA) where: Base-Base interactions energy: -40.017 where: short stacking energy: -31.029 Base-Backbone interact. energy: -0.353 local terms energy: -43.753651 where: bonds (distance) C4'-P energy: -8.935 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -8.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -76.782146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.782146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.782146 (E_RNA) where: Base-Base interactions energy: -24.407 where: short stacking energy: -24.407 Base-Backbone interact. energy: -0.029 local terms energy: -52.346072 where: bonds (distance) C4'-P energy: -14.491 bonds (distance) P-C4' energy: -12.944 flat angles C4'-P-C4' energy: -10.949 flat angles P-C4'-P energy: -9.895 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -185.860616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.860616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.860616 (E_RNA) where: Base-Base interactions energy: -118.750 where: short stacking energy: -54.686 Base-Backbone interact. energy: -1.353 local terms energy: -65.757739 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -14.049 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -10.936 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: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -170.639070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.639070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.639070 (E_RNA) where: Base-Base interactions energy: -108.681 where: short stacking energy: -45.348 Base-Backbone interact. energy: -0.793 local terms energy: -61.165208 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -14.957 flat angles P-C4'-P energy: -7.236 tors. eta vs tors. theta energy: -12.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -167.879775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.879775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.879775 (E_RNA) where: Base-Base interactions energy: -107.691 where: short stacking energy: -44.807 Base-Backbone interact. energy: 0.707 local terms energy: -60.895423 where: bonds (distance) C4'-P energy: -11.246 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -11.558 flat angles P-C4'-P energy: -10.177 tors. eta vs tors. theta energy: -11.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -160.144285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.144285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.144285 (E_RNA) where: Base-Base interactions energy: -92.676 where: short stacking energy: -38.895 Base-Backbone interact. energy: -0.302 local terms energy: -67.166385 where: bonds (distance) C4'-P energy: -14.938 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -14.915 flat angles P-C4'-P energy: -8.871 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: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -144.053980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.053980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.053980 (E_RNA) where: Base-Base interactions energy: -83.689 where: short stacking energy: -43.729 Base-Backbone interact. energy: -0.047 local terms energy: -60.318076 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -12.819 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -8.871 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: 6, replica: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -158.216970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.216970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.216970 (E_RNA) where: Base-Base interactions energy: -90.656 where: short stacking energy: -36.731 Base-Backbone interact. energy: -1.295 local terms energy: -66.266012 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -14.251 flat angles P-C4'-P energy: -12.974 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: 290 Temperature: 1.200000 Total energy: -81.984262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.984262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.984262 (E_RNA) where: Base-Base interactions energy: -36.987 where: short stacking energy: -25.437 Base-Backbone interact. energy: -0.018 local terms energy: -44.979004 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -10.757 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -77.377289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.377289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.377289 (E_RNA) where: Base-Base interactions energy: -24.383 where: short stacking energy: -17.494 Base-Backbone interact. energy: -0.142 local terms energy: -52.852123 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -12.247 flat angles P-C4'-P energy: -9.776 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -85.990460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.990460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.990460 (E_RNA) where: Base-Base interactions energy: -37.097 where: short stacking energy: -37.097 Base-Backbone interact. energy: -0.004 local terms energy: -48.889817 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -8.746 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -8.683 tors. eta vs tors. theta energy: -6.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -66.201527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.201527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.201527 (E_RNA) where: Base-Base interactions energy: -30.692 where: short stacking energy: -20.825 Base-Backbone interact. energy: -1.127 local terms energy: -34.382875 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -10.900 flat angles C4'-P-C4' energy: 0.708 flat angles P-C4'-P energy: -7.182 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: 1, replica: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -185.322544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.322544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.322544 (E_RNA) where: Base-Base interactions energy: -119.318 where: short stacking energy: -44.549 Base-Backbone interact. energy: -0.465 local terms energy: -65.539303 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -16.538 flat angles P-C4'-P energy: -10.815 tors. eta vs tors. theta energy: -8.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -170.586636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.586636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.586636 (E_RNA) where: Base-Base interactions energy: -108.259 where: short stacking energy: -55.224 Base-Backbone interact. energy: -0.064 local terms energy: -62.263586 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -10.567 flat angles C4'-P-C4' energy: -14.548 flat angles P-C4'-P energy: -10.796 tors. eta vs tors. theta energy: -12.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -168.922614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.922614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.922614 (E_RNA) where: Base-Base interactions energy: -104.553 where: short stacking energy: -54.255 Base-Backbone interact. energy: -0.176 local terms energy: -64.193898 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -10.916 flat angles C4'-P-C4' energy: -15.439 flat angles P-C4'-P energy: -12.149 tors. eta vs tors. theta energy: -12.595 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: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -151.049150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.049150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.049150 (E_RNA) where: Base-Base interactions energy: -89.785 where: short stacking energy: -48.039 Base-Backbone interact. energy: -0.291 local terms energy: -60.973101 where: bonds (distance) C4'-P energy: -9.216 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -16.041 flat angles P-C4'-P energy: -10.879 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: 5, replica: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -111.534690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.534690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.534690 (E_RNA) where: Base-Base interactions energy: -65.460 where: short stacking energy: -24.042 Base-Backbone interact. energy: 0.006 local terms energy: -46.080360 where: bonds (distance) C4'-P energy: -12.128 bonds (distance) P-C4' energy: -14.484 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: 2.729 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: 291 Temperature: 1.150000 Total energy: -155.489871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.489871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.489871 (E_RNA) where: Base-Base interactions energy: -94.277 where: short stacking energy: -46.519 Base-Backbone interact. energy: -0.156 local terms energy: -61.056497 where: bonds (distance) C4'-P energy: -13.026 bonds (distance) P-C4' energy: -13.893 flat angles C4'-P-C4' energy: -16.686 flat angles P-C4'-P energy: -7.966 tors. eta vs tors. theta energy: -9.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -79.633029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.633029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.633029 (E_RNA) where: Base-Base interactions energy: -31.757 where: short stacking energy: -27.989 Base-Backbone interact. energy: -0.275 local terms energy: -47.600901 where: bonds (distance) C4'-P energy: -11.443 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -3.994 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: 8, replica: 10 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -75.149261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.149261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.149261 (E_RNA) where: Base-Base interactions energy: -31.565 where: short stacking energy: -31.096 Base-Backbone interact. energy: -0.136 local terms energy: -43.448485 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -10.830 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -3.553 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: 4 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -82.690478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.690478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.690478 (E_RNA) where: Base-Base interactions energy: -36.882 where: short stacking energy: -36.882 Base-Backbone interact. energy: -0.012 local terms energy: -45.796019 where: bonds (distance) C4'-P energy: -11.385 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -6.771 tors. eta vs tors. theta energy: -6.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -69.794788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.794788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.794788 (E_RNA) where: Base-Base interactions energy: -28.219 where: short stacking energy: -22.612 Base-Backbone interact. energy: -0.007 local terms energy: -41.569336 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -9.412 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -190.075479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.075479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.075479 (E_RNA) where: Base-Base interactions energy: -128.132 where: short stacking energy: -61.286 Base-Backbone interact. energy: -1.381 local terms energy: -60.561786 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -11.628 flat angles C4'-P-C4' energy: -11.181 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -13.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -164.913902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.913902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.913902 (E_RNA) where: Base-Base interactions energy: -110.114 where: short stacking energy: -45.296 Base-Backbone interact. energy: -0.118 local terms energy: -54.682172 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -11.279 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -10.524 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: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -166.191375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.191375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.191375 (E_RNA) where: Base-Base interactions energy: -99.142 where: short stacking energy: -49.188 Base-Backbone interact. energy: -1.140 local terms energy: -65.910184 where: bonds (distance) C4'-P energy: -13.748 bonds (distance) P-C4' energy: -13.921 flat angles C4'-P-C4' energy: -16.230 flat angles P-C4'-P energy: -10.422 tors. eta vs tors. theta energy: -11.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -166.828331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.828331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.828331 (E_RNA) where: Base-Base interactions energy: -105.688 where: short stacking energy: -53.421 Base-Backbone interact. energy: -0.138 local terms energy: -61.001960 where: bonds (distance) C4'-P energy: -10.653 bonds (distance) P-C4' energy: -12.108 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -6.918 tors. eta vs tors. theta energy: -16.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -156.617025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.617025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.617025 (E_RNA) where: Base-Base interactions energy: -93.504 where: short stacking energy: -50.286 Base-Backbone interact. energy: -0.227 local terms energy: -62.886128 where: bonds (distance) C4'-P energy: -13.207 bonds (distance) P-C4' energy: -10.950 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -11.548 tors. eta vs tors. theta energy: -12.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -98.504674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.504674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.504674 (E_RNA) where: Base-Base interactions energy: -56.217 where: short stacking energy: -35.291 Base-Backbone interact. energy: -0.103 local terms energy: -42.184871 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -10.658 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -7.796 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: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -83.624574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.624574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.624574 (E_RNA) where: Base-Base interactions energy: -36.305 where: short stacking energy: -36.305 Base-Backbone interact. energy: -0.143 local terms energy: -47.176377 where: bonds (distance) C4'-P energy: -8.988 bonds (distance) P-C4' energy: -10.295 flat angles C4'-P-C4' energy: -10.803 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -10.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -74.424271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.424271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.424271 (E_RNA) where: Base-Base interactions energy: -25.030 where: short stacking energy: -22.402 Base-Backbone interact. energy: -0.059 local terms energy: -49.335172 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -9.721 flat angles C4'-P-C4' energy: -13.203 flat angles P-C4'-P energy: -7.466 tors. eta vs tors. theta energy: -3.622 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: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -64.256946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.256946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.256946 (E_RNA) where: Base-Base interactions energy: -19.894 where: short stacking energy: -18.667 Base-Backbone interact. energy: -0.316 local terms energy: -44.047228 where: bonds (distance) C4'-P energy: -14.632 bonds (distance) P-C4' energy: -7.648 flat angles C4'-P-C4' energy: -10.410 flat angles P-C4'-P energy: -10.495 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -74.253355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.253355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.253355 (E_RNA) where: Base-Base interactions energy: -28.381 where: short stacking energy: -28.329 Base-Backbone interact. energy: -0.075 local terms energy: -45.797695 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -11.482 flat angles C4'-P-C4' energy: -10.541 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -7.457 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: 293 Temperature: 0.900000 Total energy: -185.459394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.459394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.459394 (E_RNA) where: Base-Base interactions energy: -118.387 where: short stacking energy: -60.036 Base-Backbone interact. energy: -0.878 local terms energy: -66.194204 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -13.918 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -9.282 tors. eta vs tors. theta energy: -17.686 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: 2, replica: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -178.527610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.527610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.527610 (E_RNA) where: Base-Base interactions energy: -115.209 where: short stacking energy: -58.936 Base-Backbone interact. energy: -0.014 local terms energy: -63.304677 where: bonds (distance) C4'-P energy: -9.746 bonds (distance) P-C4' energy: -14.611 flat angles C4'-P-C4' energy: -13.662 flat angles P-C4'-P energy: -8.454 tors. eta vs tors. theta energy: -16.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -152.934896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.934896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.934896 (E_RNA) where: Base-Base interactions energy: -98.729 where: short stacking energy: -46.397 Base-Backbone interact. energy: -0.162 local terms energy: -54.044847 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -6.739 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: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -158.105241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.105241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.105241 (E_RNA) where: Base-Base interactions energy: -100.348 where: short stacking energy: -49.059 Base-Backbone interact. energy: -0.079 local terms energy: -57.678673 where: bonds (distance) C4'-P energy: -11.953 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -9.487 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -13.223 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: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -150.562849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.562849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.562849 (E_RNA) where: Base-Base interactions energy: -88.790 where: short stacking energy: -51.135 Base-Backbone interact. energy: 0.077 local terms energy: -61.849755 where: bonds (distance) C4'-P energy: -14.727 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -10.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -76.983505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.983505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.983505 (E_RNA) where: Base-Base interactions energy: -23.410 where: short stacking energy: -23.410 Base-Backbone interact. energy: 2.496 local terms energy: -56.069910 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -15.109 flat angles P-C4'-P energy: -9.448 tors. eta vs tors. theta energy: -6.113 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: 7, replica: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -82.774749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.774749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.774749 (E_RNA) where: Base-Base interactions energy: -35.144 where: short stacking energy: -17.128 Base-Backbone interact. energy: -0.235 local terms energy: -47.396684 where: bonds (distance) C4'-P energy: -9.849 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -12.357 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -1.771 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: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -76.299620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.299620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.299620 (E_RNA) where: Base-Base interactions energy: -30.770 where: short stacking energy: -12.468 Base-Backbone interact. energy: -0.578 local terms energy: -44.951127 where: bonds (distance) C4'-P energy: -8.524 bonds (distance) P-C4' energy: -15.048 flat angles C4'-P-C4' energy: -9.910 flat angles P-C4'-P energy: -10.324 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -74.596079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.596079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.596079 (E_RNA) where: Base-Base interactions energy: -32.425 where: short stacking energy: -28.676 Base-Backbone interact. energy: -0.063 local terms energy: -42.108486 where: bonds (distance) C4'-P energy: -9.916 bonds (distance) P-C4' energy: -11.767 flat angles C4'-P-C4' energy: -10.060 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -7.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -81.534212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.534212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.534212 (E_RNA) where: Base-Base interactions energy: -44.043 where: short stacking energy: -32.624 Base-Backbone interact. energy: -0.099 local terms energy: -37.392989 where: bonds (distance) C4'-P energy: -8.491 bonds (distance) P-C4' energy: -14.173 flat angles C4'-P-C4' energy: -9.826 flat angles P-C4'-P energy: -3.614 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: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -188.283872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.283872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.283872 (E_RNA) where: Base-Base interactions energy: -113.792 where: short stacking energy: -59.116 Base-Backbone interact. energy: -0.606 local terms energy: -73.885223 where: bonds (distance) C4'-P energy: -15.235 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -14.242 flat angles P-C4'-P energy: -11.362 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: 2, replica: 9 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -173.718381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.718381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.718381 (E_RNA) where: Base-Base interactions energy: -109.865 where: short stacking energy: -49.820 Base-Backbone interact. energy: -1.346 local terms energy: -62.507680 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -13.580 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -13.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -167.398128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.398128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.398128 (E_RNA) where: Base-Base interactions energy: -105.201 where: short stacking energy: -40.846 Base-Backbone interact. energy: 0.003 local terms energy: -62.200321 where: bonds (distance) C4'-P energy: -14.731 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -14.966 flat angles P-C4'-P energy: -7.790 tors. eta vs tors. theta energy: -12.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -162.143489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.143489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.143489 (E_RNA) where: Base-Base interactions energy: -100.975 where: short stacking energy: -40.374 Base-Backbone interact. energy: 0.037 local terms energy: -61.206186 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -14.664 flat angles P-C4'-P energy: -9.242 tors. eta vs tors. theta energy: -10.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -154.261799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.261799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.261799 (E_RNA) where: Base-Base interactions energy: -87.613 where: short stacking energy: -48.455 Base-Backbone interact. energy: -0.038 local terms energy: -66.611556 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -11.987 tors. eta vs tors. theta energy: -16.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -94.640204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.640204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.640204 (E_RNA) where: Base-Base interactions energy: -37.288 where: short stacking energy: -37.288 Base-Backbone interact. energy: -0.115 local terms energy: -57.237379 where: bonds (distance) C4'-P energy: -10.383 bonds (distance) P-C4' energy: -15.622 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -7.482 tors. eta vs tors. theta energy: -11.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -78.194247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.194247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.194247 (E_RNA) where: Base-Base interactions energy: -38.396 where: short stacking energy: -24.739 Base-Backbone interact. energy: 0.020 local terms energy: -39.818549 where: bonds (distance) C4'-P energy: -8.338 bonds (distance) P-C4' energy: -10.015 flat angles C4'-P-C4' energy: -13.910 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -77.375809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.375809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.375809 (E_RNA) where: Base-Base interactions energy: -32.842 where: short stacking energy: -21.722 Base-Backbone interact. energy: 0.997 local terms energy: -45.531327 where: bonds (distance) C4'-P energy: -12.528 bonds (distance) P-C4' energy: -12.198 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -7.935 tors. eta vs tors. theta energy: -0.769 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: 4 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -75.182147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.182147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.182147 (E_RNA) where: Base-Base interactions energy: -36.588 where: short stacking energy: -29.039 Base-Backbone interact. energy: 0.132 local terms energy: -38.725950 where: bonds (distance) C4'-P energy: -11.435 bonds (distance) P-C4' energy: -10.163 flat angles C4'-P-C4' energy: -11.136 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -2.161 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: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -67.712830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.712830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.712830 (E_RNA) where: Base-Base interactions energy: -27.156 where: short stacking energy: -14.766 Base-Backbone interact. energy: -0.309 local terms energy: -40.247460 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -10.926 flat angles C4'-P-C4' energy: -10.282 flat angles P-C4'-P energy: -7.915 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: 1 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -187.984803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.984803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.984803 (E_RNA) where: Base-Base interactions energy: -118.029 where: short stacking energy: -60.327 Base-Backbone interact. energy: -0.302 local terms energy: -69.653231 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -15.510 flat angles P-C4'-P energy: -11.237 tors. eta vs tors. theta energy: -14.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -162.309817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.309817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.309817 (E_RNA) where: Base-Base interactions energy: -104.031 where: short stacking energy: -40.339 Base-Backbone interact. energy: -0.700 local terms energy: -57.578867 where: bonds (distance) C4'-P energy: -10.639 bonds (distance) P-C4' energy: -11.531 flat angles C4'-P-C4' energy: -15.918 flat angles P-C4'-P energy: -9.444 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: 3, replica: 9 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -162.936867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.936867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.936867 (E_RNA) where: Base-Base interactions energy: -99.944 where: short stacking energy: -44.560 Base-Backbone interact. energy: -0.824 local terms energy: -62.168855 where: bonds (distance) C4'-P energy: -14.217 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -15.654 flat angles P-C4'-P energy: -9.343 tors. eta vs tors. theta energy: -9.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -158.262026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.262026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.262026 (E_RNA) where: Base-Base interactions energy: -90.107 where: short stacking energy: -42.873 Base-Backbone interact. energy: -0.132 local terms energy: -68.022435 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -12.148 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: 5, replica: 3 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -146.460990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.460990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.460990 (E_RNA) where: Base-Base interactions energy: -88.698 where: short stacking energy: -49.212 Base-Backbone interact. energy: -0.079 local terms energy: -57.684461 where: bonds (distance) C4'-P energy: -8.256 bonds (distance) P-C4' energy: -13.173 flat angles C4'-P-C4' energy: -12.661 flat angles P-C4'-P energy: -11.567 tors. eta vs tors. theta energy: -12.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -93.191435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.191435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.191435 (E_RNA) where: Base-Base interactions energy: -46.881 where: short stacking energy: -27.791 Base-Backbone interact. energy: -0.505 local terms energy: -45.806280 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -14.035 flat angles C4'-P-C4' energy: -11.466 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -0.840 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: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -76.507625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.507625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.507625 (E_RNA) where: Base-Base interactions energy: -28.520 where: short stacking energy: -19.839 Base-Backbone interact. energy: -0.679 local terms energy: -47.308291 where: bonds (distance) C4'-P energy: -8.942 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -9.274 flat angles P-C4'-P energy: -11.676 tors. eta vs tors. theta energy: -2.266 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: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -81.786709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.786709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.786709 (E_RNA) where: Base-Base interactions energy: -35.124 where: short stacking energy: -23.047 Base-Backbone interact. energy: 0.023 local terms energy: -46.685684 where: bonds (distance) C4'-P energy: -11.555 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -8.525 tors. eta vs tors. theta energy: -0.228 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: 9, replica: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -71.641546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.641546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.641546 (E_RNA) where: Base-Base interactions energy: -23.646 where: short stacking energy: -22.269 Base-Backbone interact. energy: -0.009 local terms energy: -47.986781 where: bonds (distance) C4'-P energy: -11.283 bonds (distance) P-C4' energy: -14.766 flat angles C4'-P-C4' energy: -12.356 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -82.569445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.569445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.569445 (E_RNA) where: Base-Base interactions energy: -30.981 where: short stacking energy: -28.069 Base-Backbone interact. energy: -0.135 local terms energy: -51.453223 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -14.469 flat angles C4'-P-C4' energy: -17.413 flat angles P-C4'-P energy: -0.160 tors. eta vs tors. theta energy: -4.933 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: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -186.361509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.361509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.361509 (E_RNA) where: Base-Base interactions energy: -123.354 where: short stacking energy: -55.292 Base-Backbone interact. energy: -0.629 local terms energy: -62.378938 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -11.053 tors. eta vs tors. theta energy: -10.995 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: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -167.058900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.058900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.058900 (E_RNA) where: Base-Base interactions energy: -117.624 where: short stacking energy: -36.395 Base-Backbone interact. energy: -0.199 local terms energy: -49.236458 where: bonds (distance) C4'-P energy: -13.567 bonds (distance) P-C4' energy: -12.801 flat angles C4'-P-C4' energy: -12.351 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -6.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -172.507857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.507857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.507857 (E_RNA) where: Base-Base interactions energy: -111.711 where: short stacking energy: -54.618 Base-Backbone interact. energy: -0.307 local terms energy: -60.489880 where: bonds (distance) C4'-P energy: -11.853 bonds (distance) P-C4' energy: -11.572 flat angles C4'-P-C4' energy: -15.133 flat angles P-C4'-P energy: -9.118 tors. eta vs tors. theta energy: -12.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -164.019602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.019602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.019602 (E_RNA) where: Base-Base interactions energy: -101.931 where: short stacking energy: -44.122 Base-Backbone interact. energy: 0.139 local terms energy: -62.227775 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -13.888 flat angles P-C4'-P energy: -11.684 tors. eta vs tors. theta energy: -8.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -153.919695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.919695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.919695 (E_RNA) where: Base-Base interactions energy: -90.638 where: short stacking energy: -41.115 Base-Backbone interact. energy: -0.597 local terms energy: -62.684402 where: bonds (distance) C4'-P energy: -10.586 bonds (distance) P-C4' energy: -12.773 flat angles C4'-P-C4' energy: -14.452 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -13.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -94.047476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.047476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.047476 (E_RNA) where: Base-Base interactions energy: -38.962 where: short stacking energy: -37.641 Base-Backbone interact. energy: -0.043 local terms energy: -55.043055 where: bonds (distance) C4'-P energy: -11.352 bonds (distance) P-C4' energy: -9.676 flat angles C4'-P-C4' energy: -14.158 flat angles P-C4'-P energy: -9.261 tors. eta vs tors. theta energy: -10.596 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: 296 Temperature: 1.200000 Total energy: -83.960218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.960218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.960218 (E_RNA) where: Base-Base interactions energy: -42.014 where: short stacking energy: -15.359 Base-Backbone interact. energy: -0.372 local terms energy: -41.574107 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -109.357856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.357856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.357856 (E_RNA) where: Base-Base interactions energy: -67.207 where: short stacking energy: -35.787 Base-Backbone interact. energy: -0.193 local terms energy: -41.957945 where: bonds (distance) C4'-P energy: -11.890 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -70.906317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.906317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.906317 (E_RNA) where: Base-Base interactions energy: -32.594 where: short stacking energy: -27.348 Base-Backbone interact. energy: -0.234 local terms energy: -38.078044 where: bonds (distance) C4'-P energy: -5.406 bonds (distance) P-C4' energy: -13.810 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -80.027951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.027951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.027951 (E_RNA) where: Base-Base interactions energy: -34.522 where: short stacking energy: -34.522 Base-Backbone interact. energy: -0.098 local terms energy: -45.407809 where: bonds (distance) C4'-P energy: -7.006 bonds (distance) P-C4' energy: -9.261 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -8.421 tors. eta vs tors. theta energy: -7.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -187.398459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.398459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.398459 (E_RNA) where: Base-Base interactions energy: -118.855 where: short stacking energy: -52.617 Base-Backbone interact. energy: -0.344 local terms energy: -68.198860 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -11.176 flat angles P-C4'-P energy: -13.407 tors. eta vs tors. theta energy: -13.100 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: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -171.358278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.358278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.358278 (E_RNA) where: Base-Base interactions energy: -111.302 where: short stacking energy: -53.947 Base-Backbone interact. energy: -0.706 local terms energy: -59.350560 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -11.988 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -13.018 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: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -165.954442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.954442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.954442 (E_RNA) where: Base-Base interactions energy: -106.999 where: short stacking energy: -38.814 Base-Backbone interact. energy: -0.295 local terms energy: -58.660746 where: bonds (distance) C4'-P energy: -9.861 bonds (distance) P-C4' energy: -16.911 flat angles C4'-P-C4' energy: -14.008 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: -9.790 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: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -156.263108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.263108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.263108 (E_RNA) where: Base-Base interactions energy: -100.108 where: short stacking energy: -36.906 Base-Backbone interact. energy: -0.452 local terms energy: -55.703017 where: bonds (distance) C4'-P energy: -10.549 bonds (distance) P-C4' energy: -15.653 flat angles C4'-P-C4' energy: -8.114 flat angles P-C4'-P energy: -12.149 tors. eta vs tors. theta energy: -9.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -119.860709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.860709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.860709 (E_RNA) where: Base-Base interactions energy: -74.825 where: short stacking energy: -34.488 Base-Backbone interact. energy: -0.647 local terms energy: -44.388007 where: bonds (distance) C4'-P energy: -10.047 bonds (distance) P-C4' energy: -10.322 flat angles C4'-P-C4' energy: -9.850 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -4.165 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: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -91.494885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.494885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.494885 (E_RNA) where: Base-Base interactions energy: -39.619 where: short stacking energy: -38.813 Base-Backbone interact. energy: 0.486 local terms energy: -52.361875 where: bonds (distance) C4'-P energy: -11.132 bonds (distance) P-C4' energy: -13.019 flat angles C4'-P-C4' energy: -11.588 flat angles P-C4'-P energy: -9.635 tors. eta vs tors. theta energy: -6.989 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: 7, replica: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -85.190417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.190417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.190417 (E_RNA) where: Base-Base interactions energy: -33.143 where: short stacking energy: -27.545 Base-Backbone interact. energy: 0.884 local terms energy: -52.931975 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -16.214 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -5.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -92.919847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.919847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.919847 (E_RNA) where: Base-Base interactions energy: -47.425 where: short stacking energy: -27.604 Base-Backbone interact. energy: -0.695 local terms energy: -44.800043 where: bonds (distance) C4'-P energy: -9.755 bonds (distance) P-C4' energy: -13.365 flat angles C4'-P-C4' energy: -11.589 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -4.464 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: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -74.371298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.371298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.371298 (E_RNA) where: Base-Base interactions energy: -31.021 where: short stacking energy: -15.329 Base-Backbone interact. energy: 0.428 local terms energy: -43.777843 where: bonds (distance) C4'-P energy: -12.446 bonds (distance) P-C4' energy: -11.325 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -12.821 tors. eta vs tors. theta energy: -0.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -67.650059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.650059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.650059 (E_RNA) where: Base-Base interactions energy: -18.526 where: short stacking energy: -18.526 Base-Backbone interact. energy: -0.304 local terms energy: -48.820535 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -14.717 flat angles P-C4'-P energy: -9.069 tors. eta vs tors. theta energy: 0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -188.076938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.076938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.076938 (E_RNA) where: Base-Base interactions energy: -115.727 where: short stacking energy: -66.914 Base-Backbone interact. energy: -0.616 local terms energy: -71.734448 where: bonds (distance) C4'-P energy: -14.631 bonds (distance) P-C4' energy: -14.225 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -11.321 tors. eta vs tors. theta energy: -16.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -181.214480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.214480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.214480 (E_RNA) where: Base-Base interactions energy: -119.359 where: short stacking energy: -55.688 Base-Backbone interact. energy: -0.779 local terms energy: -61.076755 where: bonds (distance) C4'-P energy: -11.373 bonds (distance) P-C4' energy: -14.478 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -7.286 tors. eta vs tors. theta energy: -13.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -147.816807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.816807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.816807 (E_RNA) where: Base-Base interactions energy: -86.366 where: short stacking energy: -41.422 Base-Backbone interact. energy: -0.136 local terms energy: -61.315274 where: bonds (distance) C4'-P energy: -12.710 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -15.901 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -8.607 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: 5 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -158.399971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.399971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.399971 (E_RNA) where: Base-Base interactions energy: -103.610 where: short stacking energy: -51.820 Base-Backbone interact. energy: -0.305 local terms energy: -54.484152 where: bonds (distance) C4'-P energy: -10.930 bonds (distance) P-C4' energy: -11.297 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -7.268 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: 5, replica: 4 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -95.194397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.194397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.194397 (E_RNA) where: Base-Base interactions energy: -40.057 where: short stacking energy: -40.057 Base-Backbone interact. energy: -0.007 local terms energy: -55.130423 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -12.067 flat angles C4'-P-C4' energy: -9.451 flat angles P-C4'-P energy: -13.297 tors. eta vs tors. theta energy: -7.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -143.225189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.225189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.225189 (E_RNA) where: Base-Base interactions energy: -89.778 where: short stacking energy: -42.129 Base-Backbone interact. energy: -0.069 local terms energy: -53.378825 where: bonds (distance) C4'-P energy: -12.275 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -10.199 flat angles P-C4'-P energy: -6.319 tors. eta vs tors. theta energy: -9.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -75.606402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.606402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.606402 (E_RNA) where: Base-Base interactions energy: -30.417 where: short stacking energy: -30.094 Base-Backbone interact. energy: -0.720 local terms energy: -44.469596 where: bonds (distance) C4'-P energy: -8.901 bonds (distance) P-C4' energy: -14.705 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -3.844 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: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -93.120526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.120526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.120526 (E_RNA) where: Base-Base interactions energy: -44.820 where: short stacking energy: -44.820 Base-Backbone interact. energy: -0.114 local terms energy: -48.187122 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.741 flat angles C4'-P-C4' energy: -10.736 flat angles P-C4'-P energy: -8.590 tors. eta vs tors. theta energy: -12.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -72.962351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.962351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.962351 (E_RNA) where: Base-Base interactions energy: -29.439 where: short stacking energy: -18.802 Base-Backbone interact. energy: -1.056 local terms energy: -42.467444 where: bonds (distance) C4'-P energy: -0.889 bonds (distance) P-C4' energy: -13.493 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -10.359 tors. eta vs tors. theta energy: -4.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -72.391605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.391605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.391605 (E_RNA) where: Base-Base interactions energy: -35.190 where: short stacking energy: -19.581 Base-Backbone interact. energy: -0.231 local terms energy: -36.969994 where: bonds (distance) C4'-P energy: -10.859 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -10.719 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: 1.695 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: 1, replica: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -178.347489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.347489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.347489 (E_RNA) where: Base-Base interactions energy: -117.718 where: short stacking energy: -49.952 Base-Backbone interact. energy: -1.209 local terms energy: -59.420881 where: bonds (distance) C4'-P energy: -11.108 bonds (distance) P-C4' energy: -13.257 flat angles C4'-P-C4' energy: -14.991 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -12.906 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: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -177.240376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.240376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.240376 (E_RNA) where: Base-Base interactions energy: -113.453 where: short stacking energy: -54.908 Base-Backbone interact. energy: -0.197 local terms energy: -63.590721 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -10.883 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -13.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -167.493519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.493519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.493519 (E_RNA) where: Base-Base interactions energy: -102.169 where: short stacking energy: -40.428 Base-Backbone interact. energy: -0.632 local terms energy: -64.692463 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -16.474 flat angles C4'-P-C4' energy: -16.671 flat angles P-C4'-P energy: -8.301 tors. eta vs tors. theta energy: -10.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -149.458662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.458662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.458662 (E_RNA) where: Base-Base interactions energy: -88.527 where: short stacking energy: -53.106 Base-Backbone interact. energy: -0.036 local terms energy: -60.896552 where: bonds (distance) C4'-P energy: -14.163 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -11.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -98.100176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.100176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.100176 (E_RNA) where: Base-Base interactions energy: -44.853 where: short stacking energy: -44.853 Base-Backbone interact. energy: -0.076 local terms energy: -53.170193 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -11.350 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -9.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -136.388227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.388227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.388227 (E_RNA) where: Base-Base interactions energy: -84.333 where: short stacking energy: -42.233 Base-Backbone interact. energy: -0.136 local terms energy: -51.918830 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -6.249 tors. eta vs tors. theta energy: -6.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -83.447877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.447877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.447877 (E_RNA) where: Base-Base interactions energy: -34.573 where: short stacking energy: -29.997 Base-Backbone interact. energy: -0.002 local terms energy: -48.872950 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -79.318523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.318523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.318523 (E_RNA) where: Base-Base interactions energy: -25.345 where: short stacking energy: -14.112 Base-Backbone interact. energy: -0.002 local terms energy: -53.971435 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -15.410 flat angles C4'-P-C4' energy: -13.595 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: 0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -86.714497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.714497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.714497 (E_RNA) where: Base-Base interactions energy: -40.511 where: short stacking energy: -36.389 Base-Backbone interact. energy: -0.041 local terms energy: -46.163237 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -8.456 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -8.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -71.894137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.894137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.894137 (E_RNA) where: Base-Base interactions energy: -31.386 where: short stacking energy: -24.560 Base-Backbone interact. energy: -0.061 local terms energy: -40.447207 where: bonds (distance) C4'-P energy: -11.059 bonds (distance) P-C4' energy: -10.902 flat angles C4'-P-C4' energy: -10.673 flat angles P-C4'-P energy: -6.315 tors. eta vs tors. theta energy: -1.498 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: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -175.094608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.094608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.094608 (E_RNA) where: Base-Base interactions energy: -100.258 where: short stacking energy: -52.486 Base-Backbone interact. energy: -0.400 local terms energy: -74.436920 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -14.737 flat angles P-C4'-P energy: -12.756 tors. eta vs tors. theta energy: -16.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -175.742191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.742191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.742191 (E_RNA) where: Base-Base interactions energy: -107.864 where: short stacking energy: -53.192 Base-Backbone interact. energy: -0.864 local terms energy: -67.014760 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: -18.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -163.295325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.295325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.295325 (E_RNA) where: Base-Base interactions energy: -96.723 where: short stacking energy: -41.265 Base-Backbone interact. energy: -0.731 local terms energy: -65.841402 where: bonds (distance) C4'-P energy: -14.370 bonds (distance) P-C4' energy: -11.733 flat angles C4'-P-C4' energy: -16.410 flat angles P-C4'-P energy: -11.624 tors. eta vs tors. theta energy: -11.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -151.704883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.704883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.704883 (E_RNA) where: Base-Base interactions energy: -94.968 where: short stacking energy: -32.006 Base-Backbone interact. energy: -0.177 local terms energy: -56.560167 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -6.174 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: 300 Temperature: 1.100000 Total energy: -154.762603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.762603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.762603 (E_RNA) where: Base-Base interactions energy: -99.883 where: short stacking energy: -50.861 Base-Backbone interact. energy: -0.547 local terms energy: -54.331993 where: bonds (distance) C4'-P energy: -9.154 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -10.077 flat angles P-C4'-P energy: -7.528 tors. eta vs tors. theta energy: -13.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -90.507256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.507256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.507256 (E_RNA) where: Base-Base interactions energy: -33.716 where: short stacking energy: -33.648 Base-Backbone interact. energy: -0.963 local terms energy: -55.827882 where: bonds (distance) C4'-P energy: -14.871 bonds (distance) P-C4' energy: -10.852 flat angles C4'-P-C4' energy: -12.033 flat angles P-C4'-P energy: -8.449 tors. eta vs tors. theta energy: -9.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -84.972318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.972318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.972318 (E_RNA) where: Base-Base interactions energy: -34.368 where: short stacking energy: -18.765 Base-Backbone interact. energy: -0.047 local terms energy: -50.557293 where: bonds (distance) C4'-P energy: -10.283 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -9.812 tors. eta vs tors. theta energy: -4.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -69.777291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.777291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.777291 (E_RNA) where: Base-Base interactions energy: -20.231 where: short stacking energy: -19.248 Base-Backbone interact. energy: -0.115 local terms energy: -49.431139 where: bonds (distance) C4'-P energy: -15.493 bonds (distance) P-C4' energy: -16.421 flat angles C4'-P-C4' energy: -8.969 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -72.377536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.377536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.377536 (E_RNA) where: Base-Base interactions energy: -24.301 where: short stacking energy: -24.301 Base-Backbone interact. energy: 0.560 local terms energy: -48.637212 where: bonds (distance) C4'-P energy: -14.329 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -9.622 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: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -71.637976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.637976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.637976 (E_RNA) where: Base-Base interactions energy: -26.893 where: short stacking energy: -26.893 Base-Backbone interact. energy: 0.151 local terms energy: -44.895971 where: bonds (distance) C4'-P energy: -7.913 bonds (distance) P-C4' energy: -15.636 flat angles C4'-P-C4' energy: -11.235 flat angles P-C4'-P energy: -8.589 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -185.973016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.973016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.973016 (E_RNA) where: Base-Base interactions energy: -125.211 where: short stacking energy: -60.982 Base-Backbone interact. energy: -0.750 local terms energy: -60.011497 where: bonds (distance) C4'-P energy: -8.265 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -13.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -172.818290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.818290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.818290 (E_RNA) where: Base-Base interactions energy: -102.412 where: short stacking energy: -47.568 Base-Backbone interact. energy: -0.231 local terms energy: -70.175934 where: bonds (distance) C4'-P energy: -14.941 bonds (distance) P-C4' energy: -17.122 flat angles C4'-P-C4' energy: -14.190 flat angles P-C4'-P energy: -9.888 tors. eta vs tors. theta energy: -14.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -170.787075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.787075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.787075 (E_RNA) where: Base-Base interactions energy: -111.633 where: short stacking energy: -47.380 Base-Backbone interact. energy: -0.883 local terms energy: -58.271903 where: bonds (distance) C4'-P energy: -12.153 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -14.209 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -9.594 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: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -159.717035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.717035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.717035 (E_RNA) where: Base-Base interactions energy: -95.433 where: short stacking energy: -46.815 Base-Backbone interact. energy: -0.021 local terms energy: -64.262743 where: bonds (distance) C4'-P energy: -11.131 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -11.132 flat angles P-C4'-P energy: -12.313 tors. eta vs tors. theta energy: -14.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -146.027154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.027154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.027154 (E_RNA) where: Base-Base interactions energy: -83.340 where: short stacking energy: -53.870 Base-Backbone interact. energy: -0.109 local terms energy: -62.577782 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -14.516 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -9.930 tors. eta vs tors. theta energy: -9.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -88.441298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.441298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.441298 (E_RNA) where: Base-Base interactions energy: -36.312 where: short stacking energy: -34.545 Base-Backbone interact. energy: -0.012 local terms energy: -52.117352 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -14.312 flat angles C4'-P-C4' energy: -9.219 flat angles P-C4'-P energy: -9.346 tors. eta vs tors. theta energy: -6.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -91.851905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.851905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.851905 (E_RNA) where: Base-Base interactions energy: -37.867 where: short stacking energy: -37.867 Base-Backbone interact. energy: -0.120 local terms energy: -53.865176 where: bonds (distance) C4'-P energy: -9.764 bonds (distance) P-C4' energy: -14.487 flat angles C4'-P-C4' energy: -12.216 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -10.717 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: 10 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -79.631313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.631313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.631313 (E_RNA) where: Base-Base interactions energy: -27.256 where: short stacking energy: -27.256 Base-Backbone interact. energy: -0.123 local terms energy: -52.252458 where: bonds (distance) C4'-P energy: -9.721 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -14.158 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -5.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -80.536999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.536999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.536999 (E_RNA) where: Base-Base interactions energy: -36.558 where: short stacking energy: -20.668 Base-Backbone interact. energy: -0.130 local terms energy: -43.848948 where: bonds (distance) C4'-P energy: -10.352 bonds (distance) P-C4' energy: -11.955 flat angles C4'-P-C4' energy: -10.808 flat angles P-C4'-P energy: -8.981 tors. eta vs tors. theta energy: -1.753 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: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -76.166756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.166756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.166756 (E_RNA) where: Base-Base interactions energy: -33.232 where: short stacking energy: -23.858 Base-Backbone interact. energy: -0.423 local terms energy: -42.511767 where: bonds (distance) C4'-P energy: -12.653 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -8.735 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: 0.696 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: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -177.513024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.513024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.513024 (E_RNA) where: Base-Base interactions energy: -115.962 where: short stacking energy: -46.710 Base-Backbone interact. energy: -0.432 local terms energy: -61.118900 where: bonds (distance) C4'-P energy: -10.703 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -14.397 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -12.047 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: 2, replica: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -170.041808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.041808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.041808 (E_RNA) where: Base-Base interactions energy: -115.112 where: short stacking energy: -44.116 Base-Backbone interact. energy: -0.872 local terms energy: -54.058327 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -13.369 flat angles P-C4'-P energy: -8.474 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -167.287922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.287922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.287922 (E_RNA) where: Base-Base interactions energy: -104.919 where: short stacking energy: -54.755 Base-Backbone interact. energy: -0.112 local terms energy: -62.257032 where: bonds (distance) C4'-P energy: -15.972 bonds (distance) P-C4' energy: -15.159 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -13.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -163.545644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.545644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.545644 (E_RNA) where: Base-Base interactions energy: -102.838 where: short stacking energy: -49.646 Base-Backbone interact. energy: -0.403 local terms energy: -60.304389 where: bonds (distance) C4'-P energy: -10.541 bonds (distance) P-C4' energy: -11.254 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -10.458 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: 5, replica: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -134.973319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.973319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.973319 (E_RNA) where: Base-Base interactions energy: -99.264 where: short stacking energy: -23.833 Base-Backbone interact. energy: -0.734 local terms energy: -34.975681 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -7.431 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -109.381334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.381334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.381334 (E_RNA) where: Base-Base interactions energy: -66.488 where: short stacking energy: -28.036 Base-Backbone interact. energy: -0.189 local terms energy: -42.704275 where: bonds (distance) C4'-P energy: -5.590 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -11.272 flat angles P-C4'-P energy: -5.140 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: 7, replica: 10 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -83.656377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.656377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.656377 (E_RNA) where: Base-Base interactions energy: -30.042 where: short stacking energy: -30.042 Base-Backbone interact. energy: -0.012 local terms energy: -53.603064 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -6.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -76.824799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.824799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.824799 (E_RNA) where: Base-Base interactions energy: -35.851 where: short stacking energy: -22.970 Base-Backbone interact. energy: -0.225 local terms energy: -40.748601 where: bonds (distance) C4'-P energy: -9.117 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -11.315 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: 1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -78.939878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.939878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.939878 (E_RNA) where: Base-Base interactions energy: -34.399 where: short stacking energy: -18.258 Base-Backbone interact. energy: -0.799 local terms energy: -43.742348 where: bonds (distance) C4'-P energy: -12.111 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -9.578 flat angles P-C4'-P energy: -8.379 tors. eta vs tors. theta energy: 1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -65.503765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.503765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.503765 (E_RNA) where: Base-Base interactions energy: -20.667 where: short stacking energy: -20.667 Base-Backbone interact. energy: -0.120 local terms energy: -44.716853 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -8.967 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -8.730 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: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -172.195405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.195405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.195405 (E_RNA) where: Base-Base interactions energy: -108.068 where: short stacking energy: -54.177 Base-Backbone interact. energy: -0.168 local terms energy: -63.959591 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -16.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -177.293721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.293721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.293721 (E_RNA) where: Base-Base interactions energy: -114.368 where: short stacking energy: -58.648 Base-Backbone interact. energy: -0.412 local terms energy: -62.513805 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -13.362 flat angles P-C4'-P energy: -10.501 tors. eta vs tors. theta energy: -12.323 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: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -178.598013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.598013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.598013 (E_RNA) where: Base-Base interactions energy: -116.223 where: short stacking energy: -50.771 Base-Backbone interact. energy: -0.284 local terms energy: -62.090595 where: bonds (distance) C4'-P energy: -10.569 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -15.033 flat angles P-C4'-P energy: -9.084 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: 4, replica: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -161.013677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.013677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.013677 (E_RNA) where: Base-Base interactions energy: -99.378 where: short stacking energy: -53.141 Base-Backbone interact. energy: -0.025 local terms energy: -61.610867 where: bonds (distance) C4'-P energy: -15.027 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -10.266 flat angles P-C4'-P energy: -9.618 tors. eta vs tors. theta energy: -14.580 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: 5, replica: 5 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -131.397915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.397915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.397915 (E_RNA) where: Base-Base interactions energy: -80.222 where: short stacking energy: -34.527 Base-Backbone interact. energy: -0.556 local terms energy: -50.619644 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -10.655 flat angles C4'-P-C4' energy: -12.461 flat angles P-C4'-P energy: -12.544 tors. eta vs tors. theta energy: -1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -89.121779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.121779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.121779 (E_RNA) where: Base-Base interactions energy: -28.561 where: short stacking energy: -25.650 Base-Backbone interact. energy: -0.661 local terms energy: -59.900088 where: bonds (distance) C4'-P energy: -14.887 bonds (distance) P-C4' energy: -16.088 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -9.823 tors. eta vs tors. theta energy: -4.547 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: 303 Temperature: 1.200000 Total energy: -93.486438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.486438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.486438 (E_RNA) where: Base-Base interactions energy: -44.016 where: short stacking energy: -26.770 Base-Backbone interact. energy: 0.018 local terms energy: -49.488083 where: bonds (distance) C4'-P energy: -12.925 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -13.207 flat angles P-C4'-P energy: -9.063 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: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -79.239291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.239291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.239291 (E_RNA) where: Base-Base interactions energy: -34.864 where: short stacking energy: -23.634 Base-Backbone interact. energy: -0.202 local terms energy: -44.173723 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -70.650956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.650956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.650956 (E_RNA) where: Base-Base interactions energy: -29.567 where: short stacking energy: -23.937 Base-Backbone interact. energy: -0.234 local terms energy: -40.850118 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -9.182 flat angles P-C4'-P energy: -8.410 tors. eta vs tors. theta energy: 2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -73.995345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.995345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.995345 (E_RNA) where: Base-Base interactions energy: -30.977 where: short stacking energy: -16.996 Base-Backbone interact. energy: -0.359 local terms energy: -42.658897 where: bonds (distance) C4'-P energy: -10.919 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: 0.459 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: 1, replica: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -175.525929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.525929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.525929 (E_RNA) where: Base-Base interactions energy: -109.574 where: short stacking energy: -49.531 Base-Backbone interact. energy: -0.094 local terms energy: -65.858261 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -15.306 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -13.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -169.809738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.809738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.809738 (E_RNA) where: Base-Base interactions energy: -99.418 where: short stacking energy: -55.371 Base-Backbone interact. energy: -0.508 local terms energy: -69.883476 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -10.590 tors. eta vs tors. theta energy: -14.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -174.279594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.279594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.279594 (E_RNA) where: Base-Base interactions energy: -112.694 where: short stacking energy: -59.320 Base-Backbone interact. energy: -0.001 local terms energy: -61.584111 where: bonds (distance) C4'-P energy: -9.416 bonds (distance) P-C4' energy: -11.016 flat angles C4'-P-C4' energy: -14.409 flat angles P-C4'-P energy: -7.988 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: 4, replica: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -168.532377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.532377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.532377 (E_RNA) where: Base-Base interactions energy: -104.109 where: short stacking energy: -58.243 Base-Backbone interact. energy: -0.638 local terms energy: -63.785729 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -11.439 flat angles C4'-P-C4' energy: -15.736 flat angles P-C4'-P energy: -8.899 tors. eta vs tors. theta energy: -15.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -96.158231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.158231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.158231 (E_RNA) where: Base-Base interactions energy: -39.927 where: short stacking energy: -34.658 Base-Backbone interact. energy: -0.030 local terms energy: -56.201202 where: bonds (distance) C4'-P energy: -15.131 bonds (distance) P-C4' energy: -14.872 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -7.913 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: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -82.431945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.431945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.431945 (E_RNA) where: Base-Base interactions energy: -35.450 where: short stacking energy: -26.628 Base-Backbone interact. energy: -0.641 local terms energy: -46.341020 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -9.793 flat angles P-C4'-P energy: -7.968 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: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -93.080917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.080917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.080917 (E_RNA) where: Base-Base interactions energy: -33.506 where: short stacking energy: -27.117 Base-Backbone interact. energy: -0.188 local terms energy: -59.386785 where: bonds (distance) C4'-P energy: -10.790 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -14.924 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -11.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -77.942146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.942146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.942146 (E_RNA) where: Base-Base interactions energy: -31.750 where: short stacking energy: -31.750 Base-Backbone interact. energy: -0.055 local terms energy: -46.137569 where: bonds (distance) C4'-P energy: -5.825 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -14.985 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -4.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -73.147215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.147215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.147215 (E_RNA) where: Base-Base interactions energy: -30.438 where: short stacking energy: -21.432 Base-Backbone interact. energy: -0.238 local terms energy: -42.471025 where: bonds (distance) C4'-P energy: -11.037 bonds (distance) P-C4' energy: -15.880 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: 2.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -72.233149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.233149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.233149 (E_RNA) where: Base-Base interactions energy: -28.492 where: short stacking energy: -24.419 Base-Backbone interact. energy: -0.201 local terms energy: -43.539816 where: bonds (distance) C4'-P energy: -14.249 bonds (distance) P-C4' energy: -4.390 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -7.527 tors. eta vs tors. theta energy: -5.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -173.711795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.711795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.711795 (E_RNA) where: Base-Base interactions energy: -109.712 where: short stacking energy: -53.752 Base-Backbone interact. energy: -0.005 local terms energy: -63.994494 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -5.816 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: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -170.015483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.015483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.015483 (E_RNA) where: Base-Base interactions energy: -105.955 where: short stacking energy: -47.367 Base-Backbone interact. energy: -0.283 local terms energy: -63.777462 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -13.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -165.982143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.982143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.982143 (E_RNA) where: Base-Base interactions energy: -99.962 where: short stacking energy: -45.577 Base-Backbone interact. energy: -0.000 local terms energy: -66.019450 where: bonds (distance) C4'-P energy: -11.044 bonds (distance) P-C4' energy: -15.091 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -15.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -99.665264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.665264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.665264 (E_RNA) where: Base-Base interactions energy: -44.842 where: short stacking energy: -34.360 Base-Backbone interact. energy: -0.243 local terms energy: -54.580060 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -13.539 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -146.098030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.098030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.098030 (E_RNA) where: Base-Base interactions energy: -85.845 where: short stacking energy: -42.483 Base-Backbone interact. energy: -0.599 local terms energy: -59.654114 where: bonds (distance) C4'-P energy: -8.948 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -12.067 flat angles P-C4'-P energy: -11.922 tors. eta vs tors. theta energy: -12.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -85.309707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.309707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.309707 (E_RNA) where: Base-Base interactions energy: -37.918 where: short stacking energy: -25.015 Base-Backbone interact. energy: -0.156 local terms energy: -47.235867 where: bonds (distance) C4'-P energy: -11.410 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -11.718 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -78.751885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.751885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.751885 (E_RNA) where: Base-Base interactions energy: -26.494 where: short stacking energy: -24.041 Base-Backbone interact. energy: -0.793 local terms energy: -51.464166 where: bonds (distance) C4'-P energy: -14.764 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -11.436 flat angles P-C4'-P energy: -7.581 tors. eta vs tors. theta energy: -2.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -88.162106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.162106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.162106 (E_RNA) where: Base-Base interactions energy: -37.980 where: short stacking energy: -28.870 Base-Backbone interact. energy: 0.097 local terms energy: -50.278975 where: bonds (distance) C4'-P energy: -8.698 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -8.784 tors. eta vs tors. theta energy: -5.766 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: 9, replica: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -70.098454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.098454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.098454 (E_RNA) where: Base-Base interactions energy: -34.923 where: short stacking energy: -31.096 Base-Backbone interact. energy: -0.469 local terms energy: -34.706800 where: bonds (distance) C4'-P energy: -13.625 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -3.233 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: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -65.201073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.201073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.201073 (E_RNA) where: Base-Base interactions energy: -27.482 where: short stacking energy: -20.788 Base-Backbone interact. energy: 0.428 local terms energy: -38.146440 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: 1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -181.846735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.846735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.846735 (E_RNA) where: Base-Base interactions energy: -121.683 where: short stacking energy: -50.670 Base-Backbone interact. energy: -1.050 local terms energy: -59.113914 where: bonds (distance) C4'-P energy: -10.342 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -12.894 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: 2 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -168.128513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.128513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.128513 (E_RNA) where: Base-Base interactions energy: -109.400 where: short stacking energy: -41.872 Base-Backbone interact. energy: -0.263 local terms energy: -58.465394 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -10.121 flat angles P-C4'-P energy: -8.908 tors. eta vs tors. theta energy: -10.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -176.939715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.939715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.939715 (E_RNA) where: Base-Base interactions energy: -107.352 where: short stacking energy: -64.645 Base-Backbone interact. energy: -0.084 local terms energy: -69.503831 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -13.200 flat angles C4'-P-C4' energy: -12.192 flat angles P-C4'-P energy: -9.382 tors. eta vs tors. theta energy: -20.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -109.802087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.802087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.802087 (E_RNA) where: Base-Base interactions energy: -47.650 where: short stacking energy: -47.650 Base-Backbone interact. energy: -0.013 local terms energy: -62.139099 where: bonds (distance) C4'-P energy: -14.692 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -13.715 flat angles P-C4'-P energy: -5.348 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: 5, replica: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -153.964108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.964108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.964108 (E_RNA) where: Base-Base interactions energy: -88.803 where: short stacking energy: -47.144 Base-Backbone interact. energy: -0.097 local terms energy: -65.064227 where: bonds (distance) C4'-P energy: -16.067 bonds (distance) P-C4' energy: -12.632 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -14.215 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: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -109.521543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.521543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.521543 (E_RNA) where: Base-Base interactions energy: -57.241 where: short stacking energy: -37.645 Base-Backbone interact. energy: -0.085 local terms energy: -52.195147 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -11.019 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -12.175 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -85.024414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.024414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.024414 (E_RNA) where: Base-Base interactions energy: -30.527 where: short stacking energy: -22.087 Base-Backbone interact. energy: -0.201 local terms energy: -54.296453 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -15.859 flat angles C4'-P-C4' energy: -14.232 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -5.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -75.961746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.961746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.961746 (E_RNA) where: Base-Base interactions energy: -28.918 where: short stacking energy: -28.918 Base-Backbone interact. energy: -0.067 local terms energy: -46.976287 where: bonds (distance) C4'-P energy: -10.272 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -9.743 flat angles P-C4'-P energy: -7.995 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: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -94.079392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.079392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.079392 (E_RNA) where: Base-Base interactions energy: -47.602 where: short stacking energy: -23.875 Base-Backbone interact. energy: -0.031 local terms energy: -46.446472 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -17.162 flat angles C4'-P-C4' energy: -12.172 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -4.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -74.347372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.347372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.347372 (E_RNA) where: Base-Base interactions energy: -35.241 where: short stacking energy: -18.636 Base-Backbone interact. energy: -0.219 local terms energy: -38.887773 where: bonds (distance) C4'-P energy: -12.148 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -9.731 flat angles P-C4'-P energy: -5.677 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: 307 Temperature: 0.900000 Total energy: -169.617112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.617112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.617112 (E_RNA) where: Base-Base interactions energy: -104.981 where: short stacking energy: -48.653 Base-Backbone interact. energy: -0.887 local terms energy: -63.749205 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -16.881 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -11.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -163.052415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.052415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.052415 (E_RNA) where: Base-Base interactions energy: -106.216 where: short stacking energy: -46.094 Base-Backbone interact. energy: -0.049 local terms energy: -56.787649 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -12.396 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -4.093 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: 3, replica: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -169.878850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.878850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.878850 (E_RNA) where: Base-Base interactions energy: -111.790 where: short stacking energy: -48.839 Base-Backbone interact. energy: -0.667 local terms energy: -57.422355 where: bonds (distance) C4'-P energy: -13.637 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -6.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -167.882460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.882460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.882460 (E_RNA) where: Base-Base interactions energy: -101.785 where: short stacking energy: -47.053 Base-Backbone interact. energy: -0.099 local terms energy: -65.998732 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -15.352 flat angles C4'-P-C4' energy: -15.479 flat angles P-C4'-P energy: -9.944 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: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -94.721387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.721387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.721387 (E_RNA) where: Base-Base interactions energy: -33.446 where: short stacking energy: -32.110 Base-Backbone interact. energy: -0.173 local terms energy: -61.102290 where: bonds (distance) C4'-P energy: -14.305 bonds (distance) P-C4' energy: -14.935 flat angles C4'-P-C4' energy: -15.718 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -7.399 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: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -137.574484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.574484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.574484 (E_RNA) where: Base-Base interactions energy: -80.947 where: short stacking energy: -44.643 Base-Backbone interact. energy: -0.098 local terms energy: -56.529505 where: bonds (distance) C4'-P energy: -11.456 bonds (distance) P-C4' energy: -14.556 flat angles C4'-P-C4' energy: -11.448 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -12.737 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: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -84.675924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.675924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.675924 (E_RNA) where: Base-Base interactions energy: -39.538 where: short stacking energy: -33.579 Base-Backbone interact. energy: -0.798 local terms energy: -44.340375 where: bonds (distance) C4'-P energy: -6.629 bonds (distance) P-C4' energy: -10.063 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -84.299363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.299363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.299363 (E_RNA) where: Base-Base interactions energy: -37.256 where: short stacking energy: -37.181 Base-Backbone interact. energy: -0.062 local terms energy: -46.981290 where: bonds (distance) C4'-P energy: -10.405 bonds (distance) P-C4' energy: -11.805 flat angles C4'-P-C4' energy: -12.159 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -9.587 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: 9, replica: 5 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -78.245839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.245839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.245839 (E_RNA) where: Base-Base interactions energy: -28.491 where: short stacking energy: -28.491 Base-Backbone interact. energy: -0.060 local terms energy: -49.695399 where: bonds (distance) C4'-P energy: -10.486 bonds (distance) P-C4' energy: -12.285 flat angles C4'-P-C4' energy: -13.736 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -7.306 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: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -80.984297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.984297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.984297 (E_RNA) where: Base-Base interactions energy: -36.610 where: short stacking energy: -31.657 Base-Backbone interact. energy: -0.264 local terms energy: -44.110564 where: bonds (distance) C4'-P energy: -6.774 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -11.767 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -6.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -167.764379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.764379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.764379 (E_RNA) where: Base-Base interactions energy: -108.238 where: short stacking energy: -49.428 Base-Backbone interact. energy: -0.254 local terms energy: -59.271996 where: bonds (distance) C4'-P energy: -13.858 bonds (distance) P-C4' energy: -11.565 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -10.934 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: 3 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -176.154945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.154945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.154945 (E_RNA) where: Base-Base interactions energy: -112.125 where: short stacking energy: -45.265 Base-Backbone interact. energy: -1.593 local terms energy: -62.436806 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -11.895 flat angles P-C4'-P energy: -11.265 tors. eta vs tors. theta energy: -12.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -167.255116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.255116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.255116 (E_RNA) where: Base-Base interactions energy: -107.116 where: short stacking energy: -55.325 Base-Backbone interact. energy: -0.250 local terms energy: -59.889297 where: bonds (distance) C4'-P energy: -10.504 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -11.651 flat angles P-C4'-P energy: -7.294 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: 4, replica: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -163.730486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.730486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.730486 (E_RNA) where: Base-Base interactions energy: -104.596 where: short stacking energy: -47.748 Base-Backbone interact. energy: -0.169 local terms energy: -58.965432 where: bonds (distance) C4'-P energy: -14.274 bonds (distance) P-C4' energy: -11.479 flat angles C4'-P-C4' energy: -11.478 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: -13.810 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: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -146.436238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.436238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.436238 (E_RNA) where: Base-Base interactions energy: -85.916 where: short stacking energy: -41.736 Base-Backbone interact. energy: -0.000 local terms energy: -60.519577 where: bonds (distance) C4'-P energy: -10.520 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -10.262 flat angles P-C4'-P energy: -12.039 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: 308 Temperature: 1.150000 Total energy: -86.886135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.886135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.886135 (E_RNA) where: Base-Base interactions energy: -33.163 where: short stacking energy: -22.340 Base-Backbone interact. energy: -0.033 local terms energy: -53.690101 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -14.468 flat angles P-C4'-P energy: -7.461 tors. eta vs tors. theta energy: -4.581 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: 7 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -93.055819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.055819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.055819 (E_RNA) where: Base-Base interactions energy: -37.413 where: short stacking energy: -36.291 Base-Backbone interact. energy: -0.002 local terms energy: -55.641070 where: bonds (distance) C4'-P energy: -12.552 bonds (distance) P-C4' energy: -14.865 flat angles C4'-P-C4' energy: -10.393 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -7.242 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: 8 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -78.455287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.455287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.455287 (E_RNA) where: Base-Base interactions energy: -28.177 where: short stacking energy: -26.955 Base-Backbone interact. energy: -0.059 local terms energy: -50.218684 where: bonds (distance) C4'-P energy: -14.878 bonds (distance) P-C4' energy: -12.966 flat angles C4'-P-C4' energy: -9.283 flat angles P-C4'-P energy: -9.600 tors. eta vs tors. theta energy: -3.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -98.710807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.710807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.710807 (E_RNA) where: Base-Base interactions energy: -44.508 where: short stacking energy: -28.266 Base-Backbone interact. energy: -0.069 local terms energy: -54.133597 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -10.088 tors. eta vs tors. theta energy: -6.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -70.292349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.292349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.292349 (E_RNA) where: Base-Base interactions energy: -30.294 where: short stacking energy: -26.485 Base-Backbone interact. energy: -0.314 local terms energy: -39.684277 where: bonds (distance) C4'-P energy: -10.724 bonds (distance) P-C4' energy: -9.499 flat angles C4'-P-C4' energy: -13.835 flat angles P-C4'-P energy: -5.658 tors. eta vs tors. theta energy: 0.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -176.484118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.484118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.484118 (E_RNA) where: Base-Base interactions energy: -110.094 where: short stacking energy: -56.385 Base-Backbone interact. energy: -0.796 local terms energy: -65.594300 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -14.062 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -18.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -181.219484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.219484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.219484 (E_RNA) where: Base-Base interactions energy: -109.145 where: short stacking energy: -49.786 Base-Backbone interact. energy: -1.803 local terms energy: -70.271900 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -14.575 flat angles P-C4'-P energy: -12.564 tors. eta vs tors. theta energy: -14.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -172.742792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.742792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.742792 (E_RNA) where: Base-Base interactions energy: -102.448 where: short stacking energy: -59.092 Base-Backbone interact. energy: -0.320 local terms energy: -69.975205 where: bonds (distance) C4'-P energy: -14.970 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -14.938 flat angles P-C4'-P energy: -8.826 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: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -146.359878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.359878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.359878 (E_RNA) where: Base-Base interactions energy: -97.790 where: short stacking energy: -45.608 Base-Backbone interact. energy: -1.391 local terms energy: -47.178672 where: bonds (distance) C4'-P energy: -9.390 bonds (distance) P-C4' energy: -10.313 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -9.285 tors. eta vs tors. theta energy: -10.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -117.058939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.058939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.058939 (E_RNA) where: Base-Base interactions energy: -65.515 where: short stacking energy: -34.589 Base-Backbone interact. energy: -0.014 local terms energy: -51.529511 where: bonds (distance) C4'-P energy: -10.322 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -10.284 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -10.852 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: 7 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -84.971230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.971230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.971230 (E_RNA) where: Base-Base interactions energy: -34.435 where: short stacking energy: -29.335 Base-Backbone interact. energy: 1.198 local terms energy: -51.734364 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -12.977 flat angles C4'-P-C4' energy: -13.271 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -3.526 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: 309 Temperature: 1.200000 Total energy: -94.274442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.274442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.274442 (E_RNA) where: Base-Base interactions energy: -40.503 where: short stacking energy: -31.550 Base-Backbone interact. energy: -0.001 local terms energy: -53.770816 where: bonds (distance) C4'-P energy: -7.744 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -7.722 tors. eta vs tors. theta energy: -9.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -76.533349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.533349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.533349 (E_RNA) where: Base-Base interactions energy: -32.344 where: short stacking energy: -23.511 Base-Backbone interact. energy: -0.164 local terms energy: -44.026115 where: bonds (distance) C4'-P energy: -10.968 bonds (distance) P-C4' energy: -13.729 flat angles C4'-P-C4' energy: -10.052 flat angles P-C4'-P energy: -10.876 tors. eta vs tors. theta energy: 1.600 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: 9, replica: 8 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -71.876877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.876877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.876877 (E_RNA) where: Base-Base interactions energy: -30.653 where: short stacking energy: -30.653 Base-Backbone interact. energy: 0.065 local terms energy: -41.289223 where: bonds (distance) C4'-P energy: -6.152 bonds (distance) P-C4' energy: -12.445 flat angles C4'-P-C4' energy: -11.590 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -88.329236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.329236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.329236 (E_RNA) where: Base-Base interactions energy: -44.604 where: short stacking energy: -29.574 Base-Backbone interact. energy: -0.043 local terms energy: -43.682777 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -6.823 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: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -184.932609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.932609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.932609 (E_RNA) where: Base-Base interactions energy: -115.782 where: short stacking energy: -63.704 Base-Backbone interact. energy: -0.018 local terms energy: -69.132337 where: bonds (distance) C4'-P energy: -14.482 bonds (distance) P-C4' energy: -11.764 flat angles C4'-P-C4' energy: -16.552 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -19.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -177.021884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.021884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.021884 (E_RNA) where: Base-Base interactions energy: -114.833 where: short stacking energy: -57.387 Base-Backbone interact. energy: -0.164 local terms energy: -62.024762 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -14.855 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -7.258 tors. eta vs tors. theta energy: -13.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -168.829427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.829427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.829427 (E_RNA) where: Base-Base interactions energy: -116.514 where: short stacking energy: -43.356 Base-Backbone interact. energy: -1.019 local terms energy: -51.296106 where: bonds (distance) C4'-P energy: -14.569 bonds (distance) P-C4' energy: -10.778 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -6.507 tors. eta vs tors. theta energy: -6.164 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: 4, replica: 2 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -166.440955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.440955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.440955 (E_RNA) where: Base-Base interactions energy: -102.280 where: short stacking energy: -49.848 Base-Backbone interact. energy: -0.946 local terms energy: -63.214802 where: bonds (distance) C4'-P energy: -10.645 bonds (distance) P-C4' energy: -12.797 flat angles C4'-P-C4' energy: -16.757 flat angles P-C4'-P energy: -9.771 tors. eta vs tors. theta energy: -13.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -93.548021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.548021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.548021 (E_RNA) where: Base-Base interactions energy: -44.905 where: short stacking energy: -24.879 Base-Backbone interact. energy: -0.152 local terms energy: -48.490923 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -2.193 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: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -104.534909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.534909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.534909 (E_RNA) where: Base-Base interactions energy: -47.971 where: short stacking energy: -27.421 Base-Backbone interact. energy: -0.059 local terms energy: -56.504664 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -7.386 tors. eta vs tors. theta energy: -6.812 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: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -84.393878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.393878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.393878 (E_RNA) where: Base-Base interactions energy: -39.283 where: short stacking energy: -24.212 Base-Backbone interact. energy: -1.668 local terms energy: -43.442719 where: bonds (distance) C4'-P energy: -9.985 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -10.419 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: 0.213 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: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -80.166973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.166973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.166973 (E_RNA) where: Base-Base interactions energy: -36.186 where: short stacking energy: -26.602 Base-Backbone interact. energy: -0.091 local terms energy: -43.889529 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -0.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -74.904194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.904194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.904194 (E_RNA) where: Base-Base interactions energy: -34.775 where: short stacking energy: -18.218 Base-Backbone interact. energy: -0.765 local terms energy: -39.364175 where: bonds (distance) C4'-P energy: -10.052 bonds (distance) P-C4' energy: -12.781 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -6.373 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: 8 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -63.703717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.703717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.703717 (E_RNA) where: Base-Base interactions energy: -18.747 where: short stacking energy: -18.747 Base-Backbone interact. energy: -0.163 local terms energy: -44.793786 where: bonds (distance) C4'-P energy: -10.542 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: 1.102 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: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -189.075296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.075296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.075296 (E_RNA) where: Base-Base interactions energy: -118.541 where: short stacking energy: -60.989 Base-Backbone interact. energy: -0.772 local terms energy: -69.761911 where: bonds (distance) C4'-P energy: -14.871 bonds (distance) P-C4' energy: -16.607 flat angles C4'-P-C4' energy: -12.705 flat angles P-C4'-P energy: -7.887 tors. eta vs tors. theta energy: -17.691 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: 311 Temperature: 0.950000 Total energy: -187.685800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.685800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.685800 (E_RNA) where: Base-Base interactions energy: -121.005 where: short stacking energy: -56.040 Base-Backbone interact. energy: -0.225 local terms energy: -66.455622 where: bonds (distance) C4'-P energy: -14.999 bonds (distance) P-C4' energy: -12.186 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -13.573 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: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -183.534496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.534496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.534496 (E_RNA) where: Base-Base interactions energy: -125.402 where: short stacking energy: -47.757 Base-Backbone interact. energy: 0.254 local terms energy: -58.386400 where: bonds (distance) C4'-P energy: -11.038 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -8.523 tors. eta vs tors. theta energy: -11.323 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: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -161.533993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.533993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.533993 (E_RNA) where: Base-Base interactions energy: -102.554 where: short stacking energy: -51.835 Base-Backbone interact. energy: -0.020 local terms energy: -58.959903 where: bonds (distance) C4'-P energy: -11.961 bonds (distance) P-C4' energy: -12.108 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -6.914 tors. eta vs tors. theta energy: -15.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -94.977354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.977354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.977354 (E_RNA) where: Base-Base interactions energy: -39.620 where: short stacking energy: -39.620 Base-Backbone interact. energy: -0.004 local terms energy: -55.353750 where: bonds (distance) C4'-P energy: -10.788 bonds (distance) P-C4' energy: -13.005 flat angles C4'-P-C4' energy: -14.665 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -10.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -93.175527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.175527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.175527 (E_RNA) where: Base-Base interactions energy: -38.921 where: short stacking energy: -29.359 Base-Backbone interact. energy: -0.033 local terms energy: -54.221505 where: bonds (distance) C4'-P energy: -10.164 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -14.053 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -6.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -84.086002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.086002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.086002 (E_RNA) where: Base-Base interactions energy: -41.175 where: short stacking energy: -24.451 Base-Backbone interact. energy: 0.206 local terms energy: -43.117217 where: bonds (distance) C4'-P energy: -14.933 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -11.802 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -0.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -76.839479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.839479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.839479 (E_RNA) where: Base-Base interactions energy: -31.008 where: short stacking energy: -22.224 Base-Backbone interact. energy: -0.863 local terms energy: -44.968247 where: bonds (distance) C4'-P energy: -9.539 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -10.693 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: 0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -76.894295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.894295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.894295 (E_RNA) where: Base-Base interactions energy: -27.779 where: short stacking energy: -26.811 Base-Backbone interact. energy: -0.105 local terms energy: -49.010531 where: bonds (distance) C4'-P energy: -10.512 bonds (distance) P-C4' energy: -11.975 flat angles C4'-P-C4' energy: -14.435 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -72.047081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.047081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.047081 (E_RNA) where: Base-Base interactions energy: -26.381 where: short stacking energy: -21.022 Base-Backbone interact. energy: -0.492 local terms energy: -45.173633 where: bonds (distance) C4'-P energy: -7.599 bonds (distance) P-C4' energy: -12.568 flat angles C4'-P-C4' energy: -11.258 flat angles P-C4'-P energy: -10.131 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: 312 Temperature: 0.900000 Total energy: -181.640892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.640892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.640892 (E_RNA) where: Base-Base interactions energy: -120.184 where: short stacking energy: -47.818 Base-Backbone interact. energy: -1.058 local terms energy: -60.398464 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -15.611 flat angles P-C4'-P energy: -7.341 tors. eta vs tors. theta energy: -9.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -184.957873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.957873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.957873 (E_RNA) where: Base-Base interactions energy: -118.167 where: short stacking energy: -53.097 Base-Backbone interact. energy: -0.691 local terms energy: -66.100321 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -12.441 tors. eta vs tors. theta energy: -15.341 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: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -181.042338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.042338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.042338 (E_RNA) where: Base-Base interactions energy: -118.108 where: short stacking energy: -51.762 Base-Backbone interact. energy: -1.202 local terms energy: -61.731719 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -10.687 tors. eta vs tors. theta energy: -10.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -150.164304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.164304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.164304 (E_RNA) where: Base-Base interactions energy: -98.120 where: short stacking energy: -35.595 Base-Backbone interact. energy: 0.122 local terms energy: -52.166517 where: bonds (distance) C4'-P energy: -10.397 bonds (distance) P-C4' energy: -15.663 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -7.087 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: 5, replica: 10 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -120.138892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.138892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.138892 (E_RNA) where: Base-Base interactions energy: -69.837 where: short stacking energy: -36.165 Base-Backbone interact. energy: -0.421 local terms energy: -49.880676 where: bonds (distance) C4'-P energy: -8.461 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -12.520 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: -9.942 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: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -88.043381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.043381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.043381 (E_RNA) where: Base-Base interactions energy: -37.041 where: short stacking energy: -34.615 Base-Backbone interact. energy: -0.116 local terms energy: -50.887226 where: bonds (distance) C4'-P energy: -11.498 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -4.512 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: 7, replica: 5 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -100.544188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.544188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.544188 (E_RNA) where: Base-Base interactions energy: -53.244 where: short stacking energy: -27.264 Base-Backbone interact. energy: -0.291 local terms energy: -47.009254 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -9.838 flat angles C4'-P-C4' energy: -12.503 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -80.417342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.417342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.417342 (E_RNA) where: Base-Base interactions energy: -35.156 where: short stacking energy: -25.245 Base-Backbone interact. energy: -0.047 local terms energy: -45.214342 where: bonds (distance) C4'-P energy: -5.728 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -92.747607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.747607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.747607 (E_RNA) where: Base-Base interactions energy: -42.877 where: short stacking energy: -23.780 Base-Backbone interact. energy: -0.150 local terms energy: -49.720898 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -8.692 tors. eta vs tors. theta energy: -1.082 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: 8 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -67.664025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.664025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.664025 (E_RNA) where: Base-Base interactions energy: -25.071 where: short stacking energy: -24.926 Base-Backbone interact. energy: -0.199 local terms energy: -42.393981 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -10.243 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: -2.693 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: 9 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -186.324477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.324477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.324477 (E_RNA) where: Base-Base interactions energy: -124.662 where: short stacking energy: -44.232 Base-Backbone interact. energy: -0.905 local terms energy: -60.757232 where: bonds (distance) C4'-P energy: -13.244 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -14.913 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -13.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -180.920410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.920410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.920410 (E_RNA) where: Base-Base interactions energy: -115.401 where: short stacking energy: -51.904 Base-Backbone interact. energy: -0.700 local terms energy: -64.819318 where: bonds (distance) C4'-P energy: -12.127 bonds (distance) P-C4' energy: -12.754 flat angles C4'-P-C4' energy: -14.423 flat angles P-C4'-P energy: -9.476 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: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -167.331494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.331494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.331494 (E_RNA) where: Base-Base interactions energy: -108.926 where: short stacking energy: -51.303 Base-Backbone interact. energy: -0.148 local terms energy: -58.257648 where: bonds (distance) C4'-P energy: -15.160 bonds (distance) P-C4' energy: -14.690 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -13.787 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: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -123.535058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.535058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.535058 (E_RNA) where: Base-Base interactions energy: -75.110 where: short stacking energy: -37.705 Base-Backbone interact. energy: 0.404 local terms energy: -48.829675 where: bonds (distance) C4'-P energy: -13.443 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -4.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -142.674188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.674188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.674188 (E_RNA) where: Base-Base interactions energy: -86.366 where: short stacking energy: -43.583 Base-Backbone interact. energy: -1.260 local terms energy: -55.048603 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -12.414 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -9.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -124.184060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.184060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.184060 (E_RNA) where: Base-Base interactions energy: -71.111 where: short stacking energy: -47.391 Base-Backbone interact. energy: -0.186 local terms energy: -52.886894 where: bonds (distance) C4'-P energy: -14.370 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -11.819 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -5.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -82.079387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.079387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.079387 (E_RNA) where: Base-Base interactions energy: -35.105 where: short stacking energy: -34.523 Base-Backbone interact. energy: -0.176 local terms energy: -46.797721 where: bonds (distance) C4'-P energy: -11.514 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -11.873 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -6.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -89.813735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.813735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.813735 (E_RNA) where: Base-Base interactions energy: -31.532 where: short stacking energy: -31.532 Base-Backbone interact. energy: -0.007 local terms energy: -58.274573 where: bonds (distance) C4'-P energy: -13.873 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -11.776 tors. eta vs tors. theta energy: -4.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -131.293149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.293149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.293149 (E_RNA) where: Base-Base interactions energy: -72.557 where: short stacking energy: -38.356 Base-Backbone interact. energy: -0.144 local terms energy: -58.592118 where: bonds (distance) C4'-P energy: -12.382 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -15.532 flat angles P-C4'-P energy: -7.414 tors. eta vs tors. theta energy: -8.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -71.970265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.970265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.970265 (E_RNA) where: Base-Base interactions energy: -30.888 where: short stacking energy: -25.659 Base-Backbone interact. energy: -0.047 local terms energy: -41.034825 where: bonds (distance) C4'-P energy: -7.799 bonds (distance) P-C4' energy: -11.345 flat angles C4'-P-C4' energy: -9.497 flat angles P-C4'-P energy: -10.120 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -183.699009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.699009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.699009 (E_RNA) where: Base-Base interactions energy: -116.927 where: short stacking energy: -59.078 Base-Backbone interact. energy: -0.679 local terms energy: -66.092260 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -11.330 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -17.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -185.916029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.916029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.916029 (E_RNA) where: Base-Base interactions energy: -117.805 where: short stacking energy: -56.159 Base-Backbone interact. energy: -0.729 local terms energy: -67.382213 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -14.921 flat angles P-C4'-P energy: -9.894 tors. eta vs tors. theta energy: -15.380 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: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -161.190880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.190880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.190880 (E_RNA) where: Base-Base interactions energy: -96.287 where: short stacking energy: -50.862 Base-Backbone interact. energy: -0.285 local terms energy: -64.619172 where: bonds (distance) C4'-P energy: -12.856 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -14.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -137.725588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.725588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.725588 (E_RNA) where: Base-Base interactions energy: -88.088 where: short stacking energy: -33.312 Base-Backbone interact. energy: 1.180 local terms energy: -50.817323 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -11.501 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -8.625 tors. eta vs tors. theta energy: -1.538 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: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -125.888142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.888142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.888142 (E_RNA) where: Base-Base interactions energy: -76.952 where: short stacking energy: -28.342 Base-Backbone interact. energy: -0.056 local terms energy: -48.880020 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -13.679 flat angles C4'-P-C4' energy: -8.754 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -6.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -154.678147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.678147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.678147 (E_RNA) where: Base-Base interactions energy: -96.922 where: short stacking energy: -48.414 Base-Backbone interact. energy: -1.283 local terms energy: -56.473553 where: bonds (distance) C4'-P energy: -9.761 bonds (distance) P-C4' energy: -6.715 flat angles C4'-P-C4' energy: -15.856 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: -14.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -76.710871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.710871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.710871 (E_RNA) where: Base-Base interactions energy: -32.887 where: short stacking energy: -24.749 Base-Backbone interact. energy: 2.221 local terms energy: -46.044984 where: bonds (distance) C4'-P energy: -12.809 bonds (distance) P-C4' energy: -14.746 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -10.407 tors. eta vs tors. theta energy: -0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -81.250217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.250217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.250217 (E_RNA) where: Base-Base interactions energy: -31.956 where: short stacking energy: -20.092 Base-Backbone interact. energy: -0.314 local terms energy: -48.980782 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -12.518 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -9.951 tors. eta vs tors. theta energy: 0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -85.053012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.053012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.053012 (E_RNA) where: Base-Base interactions energy: -36.645 where: short stacking energy: -31.664 Base-Backbone interact. energy: 0.219 local terms energy: -48.626142 where: bonds (distance) C4'-P energy: -13.824 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -2.125 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -9.756 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: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -93.411111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.411111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.411111 (E_RNA) where: Base-Base interactions energy: -50.250 where: short stacking energy: -22.095 Base-Backbone interact. energy: -0.753 local terms energy: -42.407507 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -13.080 flat angles C4'-P-C4' energy: -11.828 flat angles P-C4'-P energy: -9.568 tors. eta vs tors. theta energy: 1.989 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: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -180.064022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.064022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.064022 (E_RNA) where: Base-Base interactions energy: -115.584 where: short stacking energy: -57.431 Base-Backbone interact. energy: -0.010 local terms energy: -64.470164 where: bonds (distance) C4'-P energy: -14.357 bonds (distance) P-C4' energy: -16.239 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -6.434 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: 2, replica: 3 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -168.139044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.139044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.139044 (E_RNA) where: Base-Base interactions energy: -102.241 where: short stacking energy: -57.882 Base-Backbone interact. energy: -0.351 local terms energy: -65.547087 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -11.346 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -9.357 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: 3, replica: 9 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -169.586700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.586700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.586700 (E_RNA) where: Base-Base interactions energy: -105.330 where: short stacking energy: -57.323 Base-Backbone interact. energy: -0.659 local terms energy: -63.598122 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -14.747 flat angles P-C4'-P energy: -8.820 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: 5 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -148.082003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.082003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.082003 (E_RNA) where: Base-Base interactions energy: -95.968 where: short stacking energy: -49.249 Base-Backbone interact. energy: -0.036 local terms energy: -52.077941 where: bonds (distance) C4'-P energy: -11.141 bonds (distance) P-C4' energy: -11.957 flat angles C4'-P-C4' energy: -12.277 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -12.142 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: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -130.428235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.428235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.428235 (E_RNA) where: Base-Base interactions energy: -82.529 where: short stacking energy: -43.893 Base-Backbone interact. energy: -0.118 local terms energy: -47.782172 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -6.774 tors. eta vs tors. theta energy: -9.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -144.009851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.009851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.009851 (E_RNA) where: Base-Base interactions energy: -93.295 where: short stacking energy: -38.478 Base-Backbone interact. energy: -1.904 local terms energy: -48.810825 where: bonds (distance) C4'-P energy: -10.032 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -11.925 flat angles P-C4'-P energy: -7.841 tors. eta vs tors. theta energy: -9.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -80.902094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.902094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.902094 (E_RNA) where: Base-Base interactions energy: -36.755 where: short stacking energy: -23.597 Base-Backbone interact. energy: -0.158 local terms energy: -43.988896 where: bonds (distance) C4'-P energy: -13.299 bonds (distance) P-C4' energy: -16.054 flat angles C4'-P-C4' energy: -10.312 flat angles P-C4'-P energy: -6.994 tors. eta vs tors. theta energy: 2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -100.981359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.981359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.981359 (E_RNA) where: Base-Base interactions energy: -52.767 where: short stacking energy: -34.009 Base-Backbone interact. energy: -0.770 local terms energy: -47.443731 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -10.260 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -6.710 tors. eta vs tors. theta energy: -4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -75.858867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.858867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.858867 (E_RNA) where: Base-Base interactions energy: -28.996 where: short stacking energy: -28.933 Base-Backbone interact. energy: -0.208 local terms energy: -46.655117 where: bonds (distance) C4'-P energy: -15.057 bonds (distance) P-C4' energy: -12.728 flat angles C4'-P-C4' energy: -9.587 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -3.763 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: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -70.370762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.370762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.370762 (E_RNA) where: Base-Base interactions energy: -20.553 where: short stacking energy: -20.553 Base-Backbone interact. energy: -0.188 local terms energy: -49.628958 where: bonds (distance) C4'-P energy: -14.776 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: 0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -180.297732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.297732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.297732 (E_RNA) where: Base-Base interactions energy: -109.501 where: short stacking energy: -61.403 Base-Backbone interact. energy: 0.869 local terms energy: -71.665708 where: bonds (distance) C4'-P energy: -10.491 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -17.498 flat angles P-C4'-P energy: -10.481 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: 2, replica: 3 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -184.748262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.748262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.748262 (E_RNA) where: Base-Base interactions energy: -117.595 where: short stacking energy: -57.674 Base-Backbone interact. energy: -0.472 local terms energy: -66.681277 where: bonds (distance) C4'-P energy: -15.691 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -9.342 tors. eta vs tors. theta energy: -13.959 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: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -186.631037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.631037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.631037 (E_RNA) where: Base-Base interactions energy: -115.498 where: short stacking energy: -56.215 Base-Backbone interact. energy: -0.280 local terms energy: -70.852651 where: bonds (distance) C4'-P energy: -13.885 bonds (distance) P-C4' energy: -15.427 flat angles C4'-P-C4' energy: -14.626 flat angles P-C4'-P energy: -10.093 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: 4, replica: 5 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -147.454816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.454816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.454816 (E_RNA) where: Base-Base interactions energy: -96.135 where: short stacking energy: -42.356 Base-Backbone interact. energy: -0.160 local terms energy: -51.160088 where: bonds (distance) C4'-P energy: -12.620 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -11.678 flat angles P-C4'-P energy: -9.970 tors. eta vs tors. theta energy: -7.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -154.843313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.843313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.843313 (E_RNA) where: Base-Base interactions energy: -96.640 where: short stacking energy: -46.652 Base-Backbone interact. energy: -0.086 local terms energy: -58.117794 where: bonds (distance) C4'-P energy: -8.719 bonds (distance) P-C4' energy: -14.101 flat angles C4'-P-C4' energy: -10.855 flat angles P-C4'-P energy: -12.034 tors. eta vs tors. theta energy: -12.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -129.460622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.460622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.460622 (E_RNA) where: Base-Base interactions energy: -78.988 where: short stacking energy: -35.682 Base-Backbone interact. energy: -0.339 local terms energy: -50.133198 where: bonds (distance) C4'-P energy: -14.669 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -11.269 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -4.751 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: 7 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -94.259283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.259283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.259283 (E_RNA) where: Base-Base interactions energy: -39.886 where: short stacking energy: -25.961 Base-Backbone interact. energy: -0.582 local terms energy: -53.790967 where: bonds (distance) C4'-P energy: -10.967 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -14.935 flat angles P-C4'-P energy: -6.180 tors. eta vs tors. theta energy: -5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -82.831121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.831121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.831121 (E_RNA) where: Base-Base interactions energy: -40.715 where: short stacking energy: -26.779 Base-Backbone interact. energy: -0.124 local terms energy: -41.992134 where: bonds (distance) C4'-P energy: -8.752 bonds (distance) P-C4' energy: -11.929 flat angles C4'-P-C4' energy: -12.533 flat angles P-C4'-P energy: -7.622 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -78.077930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.077930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.077930 (E_RNA) where: Base-Base interactions energy: -37.969 where: short stacking energy: -14.492 Base-Backbone interact. energy: -0.594 local terms energy: -39.514964 where: bonds (distance) C4'-P energy: -10.059 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -10.238 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -2.620 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: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -71.802666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.802666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.802666 (E_RNA) where: Base-Base interactions energy: -28.897 where: short stacking energy: -26.088 Base-Backbone interact. energy: -0.079 local terms energy: -42.827504 where: bonds (distance) C4'-P energy: -13.621 bonds (distance) P-C4' energy: -12.713 flat angles C4'-P-C4' energy: -10.431 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -3.160 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: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -175.162326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.162326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.162326 (E_RNA) where: Base-Base interactions energy: -110.928 where: short stacking energy: -52.919 Base-Backbone interact. energy: -0.770 local terms energy: -63.464495 where: bonds (distance) C4'-P energy: -14.961 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -12.830 flat angles P-C4'-P energy: -5.840 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: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -167.958702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.958702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.958702 (E_RNA) where: Base-Base interactions energy: -106.689 where: short stacking energy: -52.246 Base-Backbone interact. energy: -0.055 local terms energy: -61.214869 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -13.162 flat angles C4'-P-C4' energy: -13.715 flat angles P-C4'-P energy: -8.685 tors. eta vs tors. theta energy: -12.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -167.163900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.163900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.163900 (E_RNA) where: Base-Base interactions energy: -104.884 where: short stacking energy: -50.292 Base-Backbone interact. energy: -0.038 local terms energy: -62.242025 where: bonds (distance) C4'-P energy: -13.050 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -12.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -160.117878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.117878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.117878 (E_RNA) where: Base-Base interactions energy: -96.876 where: short stacking energy: -45.270 Base-Backbone interact. energy: -0.579 local terms energy: -62.662823 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -13.034 flat angles P-C4'-P energy: -7.782 tors. eta vs tors. theta energy: -13.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -134.024381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.024381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.024381 (E_RNA) where: Base-Base interactions energy: -75.522 where: short stacking energy: -44.626 Base-Backbone interact. energy: 0.775 local terms energy: -59.277829 where: bonds (distance) C4'-P energy: -9.717 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -11.377 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: 6, replica: 10 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -136.184179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.184179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.184179 (E_RNA) where: Base-Base interactions energy: -84.696 where: short stacking energy: -41.248 Base-Backbone interact. energy: -0.008 local terms energy: -51.480852 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -8.016 flat angles C4'-P-C4' energy: -9.811 flat angles P-C4'-P energy: -8.175 tors. eta vs tors. theta energy: -9.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -81.426654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.426654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.426654 (E_RNA) where: Base-Base interactions energy: -34.230 where: short stacking energy: -22.620 Base-Backbone interact. energy: -0.222 local terms energy: -46.975161 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -75.760397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.760397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.760397 (E_RNA) where: Base-Base interactions energy: -25.658 where: short stacking energy: -23.211 Base-Backbone interact. energy: -0.136 local terms energy: -49.966273 where: bonds (distance) C4'-P energy: -12.706 bonds (distance) P-C4' energy: -15.827 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -8.974 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: 9, replica: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -83.933672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.933672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.933672 (E_RNA) where: Base-Base interactions energy: -34.791 where: short stacking energy: -33.337 Base-Backbone interact. energy: 0.398 local terms energy: -49.540721 where: bonds (distance) C4'-P energy: -15.686 bonds (distance) P-C4' energy: -12.920 flat angles C4'-P-C4' energy: -12.579 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: -1.318 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: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -100.506964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.506964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.506964 (E_RNA) where: Base-Base interactions energy: -52.829 where: short stacking energy: -30.008 Base-Backbone interact. energy: 0.831 local terms energy: -48.509480 where: bonds (distance) C4'-P energy: -5.888 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -10.985 flat angles P-C4'-P energy: -9.594 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: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -186.215847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.215847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.215847 (E_RNA) where: Base-Base interactions energy: -123.027 where: short stacking energy: -64.216 Base-Backbone interact. energy: -0.416 local terms energy: -62.772815 where: bonds (distance) C4'-P energy: -15.347 bonds (distance) P-C4' energy: -12.896 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -15.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -166.013440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.013440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.013440 (E_RNA) where: Base-Base interactions energy: -102.535 where: short stacking energy: -48.186 Base-Backbone interact. energy: -0.147 local terms energy: -63.331182 where: bonds (distance) C4'-P energy: -14.221 bonds (distance) P-C4' energy: -13.105 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -11.815 tors. eta vs tors. theta energy: -10.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -167.652317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.652317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.652317 (E_RNA) where: Base-Base interactions energy: -108.820 where: short stacking energy: -60.672 Base-Backbone interact. energy: 0.523 local terms energy: -59.355425 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -9.322 flat angles C4'-P-C4' energy: -13.550 flat angles P-C4'-P energy: -9.639 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: 4, replica: 2 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -162.740799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.740799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.740799 (E_RNA) where: Base-Base interactions energy: -100.371 where: short stacking energy: -46.778 Base-Backbone interact. energy: -1.015 local terms energy: -61.354941 where: bonds (distance) C4'-P energy: -15.608 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -8.569 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: 5, replica: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -138.091014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.091014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.091014 (E_RNA) where: Base-Base interactions energy: -89.474 where: short stacking energy: -40.640 Base-Backbone interact. energy: -0.429 local terms energy: -48.187599 where: bonds (distance) C4'-P energy: -13.034 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -9.893 tors. eta vs tors. theta energy: -7.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -139.473489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.473489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.473489 (E_RNA) where: Base-Base interactions energy: -81.564 where: short stacking energy: -48.442 Base-Backbone interact. energy: -0.199 local terms energy: -57.710573 where: bonds (distance) C4'-P energy: -15.997 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -12.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -76.961844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.961844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.961844 (E_RNA) where: Base-Base interactions energy: -30.606 where: short stacking energy: -26.516 Base-Backbone interact. energy: -0.042 local terms energy: -46.313673 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -10.660 flat angles C4'-P-C4' energy: -10.425 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -7.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -70.609973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.609973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.609973 (E_RNA) where: Base-Base interactions energy: -26.776 where: short stacking energy: -19.297 Base-Backbone interact. energy: -0.401 local terms energy: -43.433141 where: bonds (distance) C4'-P energy: -12.048 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -13.881 flat angles P-C4'-P energy: -7.950 tors. eta vs tors. theta energy: 1.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -72.735629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.735629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.735629 (E_RNA) where: Base-Base interactions energy: -25.010 where: short stacking energy: -25.010 Base-Backbone interact. energy: -0.150 local terms energy: -47.575005 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -13.749 flat angles P-C4'-P energy: -7.732 tors. eta vs tors. theta energy: -0.158 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: 6 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -70.615394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.615394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.615394 (E_RNA) where: Base-Base interactions energy: -27.182 where: short stacking energy: -23.400 Base-Backbone interact. energy: -0.041 local terms energy: -43.392776 where: bonds (distance) C4'-P energy: -11.281 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -9.695 tors. eta vs tors. theta energy: 4.080 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: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -177.381509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.381509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.381509 (E_RNA) where: Base-Base interactions energy: -113.066 where: short stacking energy: -60.978 Base-Backbone interact. energy: 1.607 local terms energy: -65.922059 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -9.545 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: 2, replica: 3 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -179.901663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.901663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.901663 (E_RNA) where: Base-Base interactions energy: -105.241 where: short stacking energy: -56.657 Base-Backbone interact. energy: -1.440 local terms energy: -73.220939 where: bonds (distance) C4'-P energy: -14.068 bonds (distance) P-C4' energy: -14.346 flat angles C4'-P-C4' energy: -15.898 flat angles P-C4'-P energy: -8.776 tors. eta vs tors. theta energy: -20.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -166.671418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.671418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.671418 (E_RNA) where: Base-Base interactions energy: -107.126 where: short stacking energy: -46.864 Base-Backbone interact. energy: -0.605 local terms energy: -58.940017 where: bonds (distance) C4'-P energy: -12.018 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -10.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -157.786583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.786583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.786583 (E_RNA) where: Base-Base interactions energy: -94.654 where: short stacking energy: -56.706 Base-Backbone interact. energy: -0.001 local terms energy: -63.131928 where: bonds (distance) C4'-P energy: -12.113 bonds (distance) P-C4' energy: -10.758 flat angles C4'-P-C4' energy: -14.834 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -19.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -156.405442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.405442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.405442 (E_RNA) where: Base-Base interactions energy: -93.770 where: short stacking energy: -46.506 Base-Backbone interact. energy: -0.862 local terms energy: -61.773479 where: bonds (distance) C4'-P energy: -12.897 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -14.977 flat angles P-C4'-P energy: -9.869 tors. eta vs tors. theta energy: -11.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -138.531218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.531218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.531218 (E_RNA) where: Base-Base interactions energy: -78.188 where: short stacking energy: -38.818 Base-Backbone interact. energy: 0.045 local terms energy: -60.388609 where: bonds (distance) C4'-P energy: -10.744 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -9.356 tors. eta vs tors. theta energy: -10.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -75.389943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.389943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.389943 (E_RNA) where: Base-Base interactions energy: -27.312 where: short stacking energy: -19.695 Base-Backbone interact. energy: -0.536 local terms energy: -47.541086 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -4.349 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: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -79.967347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.967347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.967347 (E_RNA) where: Base-Base interactions energy: -36.188 where: short stacking energy: -32.547 Base-Backbone interact. energy: -0.162 local terms energy: -43.616674 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -12.367 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -7.407 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -92.483897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.483897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.483897 (E_RNA) where: Base-Base interactions energy: -44.710 where: short stacking energy: -25.565 Base-Backbone interact. energy: -0.174 local terms energy: -47.599393 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -5.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -68.963533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.963533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.963533 (E_RNA) where: Base-Base interactions energy: -17.086 where: short stacking energy: -17.086 Base-Backbone interact. energy: -0.512 local terms energy: -51.365769 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -12.212 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -5.506 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: 1, replica: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -177.255886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.255886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.255886 (E_RNA) where: Base-Base interactions energy: -109.718 where: short stacking energy: -52.291 Base-Backbone interact. energy: -0.745 local terms energy: -66.792479 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -10.421 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -18.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -174.302168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.302168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.302168 (E_RNA) where: Base-Base interactions energy: -111.539 where: short stacking energy: -39.347 Base-Backbone interact. energy: -0.699 local terms energy: -62.063920 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -17.575 flat angles C4'-P-C4' energy: -11.732 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -7.786 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: 2 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -164.759079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.759079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.759079 (E_RNA) where: Base-Base interactions energy: -107.539 where: short stacking energy: -42.033 Base-Backbone interact. energy: -0.034 local terms energy: -57.185903 where: bonds (distance) C4'-P energy: -11.187 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -15.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -164.842339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.842339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.842339 (E_RNA) where: Base-Base interactions energy: -100.446 where: short stacking energy: -48.181 Base-Backbone interact. energy: -0.083 local terms energy: -64.313016 where: bonds (distance) C4'-P energy: -15.723 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -11.313 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -14.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -161.438151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.438151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.438151 (E_RNA) where: Base-Base interactions energy: -103.003 where: short stacking energy: -46.493 Base-Backbone interact. energy: -0.024 local terms energy: -58.410674 where: bonds (distance) C4'-P energy: -11.567 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -10.740 flat angles P-C4'-P energy: -9.184 tors. eta vs tors. theta energy: -13.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -118.018871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.018871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.018871 (E_RNA) where: Base-Base interactions energy: -67.445 where: short stacking energy: -37.453 Base-Backbone interact. energy: 0.190 local terms energy: -50.764281 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -12.824 flat angles C4'-P-C4' energy: -13.419 flat angles P-C4'-P energy: -6.520 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -89.428675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.428675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.428675 (E_RNA) where: Base-Base interactions energy: -34.301 where: short stacking energy: -31.406 Base-Backbone interact. energy: -0.054 local terms energy: -55.073173 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -16.576 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -8.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -74.943345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.943345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.943345 (E_RNA) where: Base-Base interactions energy: -28.362 where: short stacking energy: -25.462 Base-Backbone interact. energy: -0.183 local terms energy: -46.398404 where: bonds (distance) C4'-P energy: -10.318 bonds (distance) P-C4' energy: -12.311 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: -2.555 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: 9, replica: 7 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -77.384899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.384899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.384899 (E_RNA) where: Base-Base interactions energy: -32.130 where: short stacking energy: -20.933 Base-Backbone interact. energy: -0.215 local terms energy: -45.038978 where: bonds (distance) C4'-P energy: -7.353 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -12.814 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -2.969 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: 10, replica: 6 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -74.877951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.877951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.877951 (E_RNA) where: Base-Base interactions energy: -31.104 where: short stacking energy: -25.352 Base-Backbone interact. energy: -0.976 local terms energy: -42.797583 where: bonds (distance) C4'-P energy: -9.682 bonds (distance) P-C4' energy: -11.734 flat angles C4'-P-C4' energy: -10.255 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -182.347831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.347831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.347831 (E_RNA) where: Base-Base interactions energy: -117.931 where: short stacking energy: -63.573 Base-Backbone interact. energy: -0.416 local terms energy: -64.000891 where: bonds (distance) C4'-P energy: -13.513 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -17.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -175.502053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.502053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.502053 (E_RNA) where: Base-Base interactions energy: -117.979 where: short stacking energy: -50.265 Base-Backbone interact. energy: -0.012 local terms energy: -57.510937 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -13.758 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -12.357 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: 2 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -166.308089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.308089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.308089 (E_RNA) where: Base-Base interactions energy: -107.235 where: short stacking energy: -50.560 Base-Backbone interact. energy: -0.399 local terms energy: -58.674390 where: bonds (distance) C4'-P energy: -12.391 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -14.249 flat angles P-C4'-P energy: -8.710 tors. eta vs tors. theta energy: -9.288 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: 10 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -169.994385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.994385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.994385 (E_RNA) where: Base-Base interactions energy: -108.270 where: short stacking energy: -59.364 Base-Backbone interact. energy: -0.004 local terms energy: -61.720578 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -9.458 flat angles C4'-P-C4' energy: -15.376 flat angles P-C4'-P energy: -8.372 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: 5, replica: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -153.637959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.637959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.637959 (E_RNA) where: Base-Base interactions energy: -90.530 where: short stacking energy: -51.254 Base-Backbone interact. energy: 1.048 local terms energy: -64.155809 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -14.168 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -13.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -110.893531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.893531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.893531 (E_RNA) where: Base-Base interactions energy: -54.967 where: short stacking energy: -27.694 Base-Backbone interact. energy: -0.022 local terms energy: -55.904950 where: bonds (distance) C4'-P energy: -15.769 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -9.850 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -6.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -138.419905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.419905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.419905 (E_RNA) where: Base-Base interactions energy: -91.949 where: short stacking energy: -42.241 Base-Backbone interact. energy: -0.942 local terms energy: -45.529011 where: bonds (distance) C4'-P energy: -12.227 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -5.676 tors. eta vs tors. theta energy: -8.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -79.690667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.690667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.690667 (E_RNA) where: Base-Base interactions energy: -34.648 where: short stacking energy: -21.307 Base-Backbone interact. energy: -0.076 local terms energy: -44.966712 where: bonds (distance) C4'-P energy: -10.143 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -9.310 flat angles P-C4'-P energy: -9.245 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -71.767876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.767876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.767876 (E_RNA) where: Base-Base interactions energy: -27.656 where: short stacking energy: -11.872 Base-Backbone interact. energy: -0.325 local terms energy: -43.786675 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -11.071 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -0.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -67.219026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.219026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.219026 (E_RNA) where: Base-Base interactions energy: -27.401 where: short stacking energy: -18.490 Base-Backbone interact. energy: -0.344 local terms energy: -39.474178 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -12.092 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -6.643 tors. eta vs tors. theta energy: 2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -174.255197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.255197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.255197 (E_RNA) where: Base-Base interactions energy: -109.970 where: short stacking energy: -56.684 Base-Backbone interact. energy: -0.001 local terms energy: -64.284808 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -12.663 flat angles C4'-P-C4' energy: -15.759 flat angles P-C4'-P energy: -6.687 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: 2, replica: 3 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -175.954810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.954810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.954810 (E_RNA) where: Base-Base interactions energy: -107.259 where: short stacking energy: -60.810 Base-Backbone interact. energy: -0.414 local terms energy: -68.282399 where: bonds (distance) C4'-P energy: -11.534 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -15.821 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -17.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -178.523455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.523455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.523455 (E_RNA) where: Base-Base interactions energy: -112.988 where: short stacking energy: -56.213 Base-Backbone interact. energy: -0.003 local terms energy: -65.532315 where: bonds (distance) C4'-P energy: -12.268 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -10.795 tors. eta vs tors. theta energy: -13.579 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: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -169.902250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.902250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.902250 (E_RNA) where: Base-Base interactions energy: -105.925 where: short stacking energy: -55.074 Base-Backbone interact. energy: 1.033 local terms energy: -65.010832 where: bonds (distance) C4'-P energy: -13.724 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -9.923 flat angles P-C4'-P energy: -12.481 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: 5, replica: 9 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -141.880312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.880312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.880312 (E_RNA) where: Base-Base interactions energy: -88.022 where: short stacking energy: -40.889 Base-Backbone interact. energy: -0.001 local terms energy: -53.857015 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -13.437 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -10.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -106.100367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.100367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.100367 (E_RNA) where: Base-Base interactions energy: -57.090 where: short stacking energy: -32.804 Base-Backbone interact. energy: -0.389 local terms energy: -48.621387 where: bonds (distance) C4'-P energy: -9.070 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -11.396 flat angles P-C4'-P energy: -5.744 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: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -141.181235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.181235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.181235 (E_RNA) where: Base-Base interactions energy: -88.246 where: short stacking energy: -35.887 Base-Backbone interact. energy: 0.167 local terms energy: -53.102853 where: bonds (distance) C4'-P energy: -11.160 bonds (distance) P-C4' energy: -14.840 flat angles C4'-P-C4' energy: -13.129 flat angles P-C4'-P energy: -6.550 tors. eta vs tors. theta energy: -7.424 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: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -81.515735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.515735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.515735 (E_RNA) where: Base-Base interactions energy: -29.679 where: short stacking energy: -28.972 Base-Backbone interact. energy: -1.024 local terms energy: -50.812882 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -14.213 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -7.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -71.325899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.325899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.325899 (E_RNA) where: Base-Base interactions energy: -24.308 where: short stacking energy: -17.388 Base-Backbone interact. energy: -0.522 local terms energy: -46.496005 where: bonds (distance) C4'-P energy: -9.481 bonds (distance) P-C4' energy: -15.224 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -63.038459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.038459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.038459 (E_RNA) where: Base-Base interactions energy: -23.568 where: short stacking energy: -23.568 Base-Backbone interact. energy: -0.102 local terms energy: -39.367844 where: bonds (distance) C4'-P energy: -8.248 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -5.078 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -184.901833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.901833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.901833 (E_RNA) where: Base-Base interactions energy: -114.802 where: short stacking energy: -60.681 Base-Backbone interact. energy: -0.326 local terms energy: -69.773938 where: bonds (distance) C4'-P energy: -14.212 bonds (distance) P-C4' energy: -13.609 flat angles C4'-P-C4' energy: -16.145 flat angles P-C4'-P energy: -7.292 tors. eta vs tors. theta energy: -18.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -182.099898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.099898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.099898 (E_RNA) where: Base-Base interactions energy: -112.973 where: short stacking energy: -51.534 Base-Backbone interact. energy: -0.576 local terms energy: -68.550499 where: bonds (distance) C4'-P energy: -14.415 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -11.155 flat angles P-C4'-P energy: -11.080 tors. eta vs tors. theta energy: -16.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -173.278607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.278607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.278607 (E_RNA) where: Base-Base interactions energy: -106.599 where: short stacking energy: -54.238 Base-Backbone interact. energy: -0.535 local terms energy: -66.144905 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -15.384 flat angles P-C4'-P energy: -8.157 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: 4, replica: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -176.587734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.587734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.587734 (E_RNA) where: Base-Base interactions energy: -116.662 where: short stacking energy: -54.261 Base-Backbone interact. energy: -0.355 local terms energy: -59.570407 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -12.343 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -17.226 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: 323 Temperature: 1.100000 Total energy: -146.615113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.615113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.615113 (E_RNA) where: Base-Base interactions energy: -92.472 where: short stacking energy: -42.924 Base-Backbone interact. energy: -0.198 local terms energy: -53.945093 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -12.674 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -7.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -150.410448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.410448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.410448 (E_RNA) where: Base-Base interactions energy: -86.222 where: short stacking energy: -42.459 Base-Backbone interact. energy: -0.106 local terms energy: -64.082558 where: bonds (distance) C4'-P energy: -15.865 bonds (distance) P-C4' energy: -15.030 flat angles C4'-P-C4' energy: -10.388 flat angles P-C4'-P energy: -8.682 tors. eta vs tors. theta energy: -14.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -81.191741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.191741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.191741 (E_RNA) where: Base-Base interactions energy: -30.837 where: short stacking energy: -26.187 Base-Backbone interact. energy: -0.163 local terms energy: -50.191634 where: bonds (distance) C4'-P energy: -10.474 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -14.505 flat angles P-C4'-P energy: -10.495 tors. eta vs tors. theta energy: -1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -79.283102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.283102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.283102 (E_RNA) where: Base-Base interactions energy: -30.844 where: short stacking energy: -30.844 Base-Backbone interact. energy: -0.120 local terms energy: -48.319648 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -11.711 flat angles P-C4'-P energy: -7.340 tors. eta vs tors. theta energy: -9.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -74.313164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.313164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.313164 (E_RNA) where: Base-Base interactions energy: -29.130 where: short stacking energy: -22.316 Base-Backbone interact. energy: -0.013 local terms energy: -45.169683 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -6.183 tors. eta vs tors. theta energy: -0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -73.677692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.677692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.677692 (E_RNA) where: Base-Base interactions energy: -32.830 where: short stacking energy: -21.419 Base-Backbone interact. energy: 0.485 local terms energy: -41.332477 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -0.459 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: 1, replica: 1 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -189.811911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.811911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.811911 (E_RNA) where: Base-Base interactions energy: -122.372 where: short stacking energy: -55.906 Base-Backbone interact. energy: -0.660 local terms energy: -66.780447 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -14.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -169.940459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.940459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.940459 (E_RNA) where: Base-Base interactions energy: -113.536 where: short stacking energy: -46.095 Base-Backbone interact. energy: -0.109 local terms energy: -56.295555 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -6.041 tors. eta vs tors. theta energy: -9.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -174.581591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.581591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.581591 (E_RNA) where: Base-Base interactions energy: -107.557 where: short stacking energy: -52.635 Base-Backbone interact. energy: -0.778 local terms energy: -66.246458 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -14.782 flat angles C4'-P-C4' energy: -16.095 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -15.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -176.898267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.898267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.898267 (E_RNA) where: Base-Base interactions energy: -108.113 where: short stacking energy: -54.456 Base-Backbone interact. energy: -0.178 local terms energy: -68.607064 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -12.469 flat angles C4'-P-C4' energy: -15.629 flat angles P-C4'-P energy: -6.756 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: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -149.904893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.904893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.904893 (E_RNA) where: Base-Base interactions energy: -86.677 where: short stacking energy: -49.448 Base-Backbone interact. energy: 1.345 local terms energy: -64.572250 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -17.162 flat angles C4'-P-C4' energy: -8.842 flat angles P-C4'-P energy: -10.208 tors. eta vs tors. theta energy: -14.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -141.266128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.266128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.266128 (E_RNA) where: Base-Base interactions energy: -79.854 where: short stacking energy: -34.482 Base-Backbone interact. energy: -1.279 local terms energy: -60.132555 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -10.703 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: 7, replica: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -81.940614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.940614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.940614 (E_RNA) where: Base-Base interactions energy: -37.920 where: short stacking energy: -37.920 Base-Backbone interact. energy: -0.135 local terms energy: -43.885630 where: bonds (distance) C4'-P energy: -10.386 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -11.145 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -2.797 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: 324 Temperature: 1.250000 Total energy: -71.674793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.674793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.674793 (E_RNA) where: Base-Base interactions energy: -29.124 where: short stacking energy: -14.893 Base-Backbone interact. energy: -0.139 local terms energy: -42.412292 where: bonds (distance) C4'-P energy: -15.526 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: 3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -71.171426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.171426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.171426 (E_RNA) where: Base-Base interactions energy: -29.662 where: short stacking energy: -26.481 Base-Backbone interact. energy: -0.342 local terms energy: -41.167597 where: bonds (distance) C4'-P energy: -12.458 bonds (distance) P-C4' energy: -10.875 flat angles C4'-P-C4' energy: -13.066 flat angles P-C4'-P energy: -6.695 tors. eta vs tors. theta energy: 1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -63.715859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.715859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.715859 (E_RNA) where: Base-Base interactions energy: -27.902 where: short stacking energy: -20.223 Base-Backbone interact. energy: -0.375 local terms energy: -35.438548 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -11.139 flat angles C4'-P-C4' energy: -10.233 flat angles P-C4'-P energy: -5.741 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: 1, replica: 1 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -180.819803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.819803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.819803 (E_RNA) where: Base-Base interactions energy: -119.101 where: short stacking energy: -55.336 Base-Backbone interact. energy: -1.231 local terms energy: -60.487715 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -12.417 flat angles P-C4'-P energy: -10.862 tors. eta vs tors. theta energy: -10.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -187.713247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.713247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.713247 (E_RNA) where: Base-Base interactions energy: -117.656 where: short stacking energy: -59.953 Base-Backbone interact. energy: -0.149 local terms energy: -69.907825 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -14.675 flat angles C4'-P-C4' energy: -16.018 flat angles P-C4'-P energy: -9.381 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: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -165.736023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.736023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.736023 (E_RNA) where: Base-Base interactions energy: -100.678 where: short stacking energy: -37.390 Base-Backbone interact. energy: -0.088 local terms energy: -64.970913 where: bonds (distance) C4'-P energy: -15.421 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -7.275 tors. eta vs tors. theta energy: -14.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -161.231274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.231274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.231274 (E_RNA) where: Base-Base interactions energy: -102.717 where: short stacking energy: -49.716 Base-Backbone interact. energy: -0.267 local terms energy: -58.247257 where: bonds (distance) C4'-P energy: -7.601 bonds (distance) P-C4' energy: -10.087 flat angles C4'-P-C4' energy: -14.910 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -16.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -132.510859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.510859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.510859 (E_RNA) where: Base-Base interactions energy: -81.501 where: short stacking energy: -38.070 Base-Backbone interact. energy: -0.822 local terms energy: -50.187252 where: bonds (distance) C4'-P energy: -10.280 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -8.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -133.554741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.554741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.554741 (E_RNA) where: Base-Base interactions energy: -80.109 where: short stacking energy: -36.704 Base-Backbone interact. energy: -1.145 local terms energy: -52.300587 where: bonds (distance) C4'-P energy: -9.704 bonds (distance) P-C4' energy: -13.266 flat angles C4'-P-C4' energy: -13.758 flat angles P-C4'-P energy: -7.728 tors. eta vs tors. theta energy: -7.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -114.445891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.445891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.445891 (E_RNA) where: Base-Base interactions energy: -59.388 where: short stacking energy: -39.620 Base-Backbone interact. energy: -0.076 local terms energy: -54.982114 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -16.305 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -7.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -75.406360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.406360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.406360 (E_RNA) where: Base-Base interactions energy: -31.535 where: short stacking energy: -23.280 Base-Backbone interact. energy: -0.004 local terms energy: -43.866937 where: bonds (distance) C4'-P energy: -9.569 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -78.486540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.486540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.486540 (E_RNA) where: Base-Base interactions energy: -31.729 where: short stacking energy: -21.955 Base-Backbone interact. energy: -0.146 local terms energy: -46.610861 where: bonds (distance) C4'-P energy: -14.142 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -10.533 tors. eta vs tors. theta energy: -1.951 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: 4 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -77.022904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.022904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.022904 (E_RNA) where: Base-Base interactions energy: -27.550 where: short stacking energy: -17.050 Base-Backbone interact. energy: -0.364 local terms energy: -49.109662 where: bonds (distance) C4'-P energy: -14.767 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -13.663 flat angles P-C4'-P energy: -5.353 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: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -174.481274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.481274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.481274 (E_RNA) where: Base-Base interactions energy: -107.029 where: short stacking energy: -50.615 Base-Backbone interact. energy: -0.864 local terms energy: -66.588714 where: bonds (distance) C4'-P energy: -15.741 bonds (distance) P-C4' energy: -15.247 flat angles C4'-P-C4' energy: -14.735 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -11.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -178.976290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.976290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.976290 (E_RNA) where: Base-Base interactions energy: -123.371 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.160 local terms energy: -55.445000 where: bonds (distance) C4'-P energy: -8.776 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -7.797 tors. eta vs tors. theta energy: -13.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -170.801022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.801022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.801022 (E_RNA) where: Base-Base interactions energy: -104.662 where: short stacking energy: -53.220 Base-Backbone interact. energy: -0.157 local terms energy: -65.981847 where: bonds (distance) C4'-P energy: -9.803 bonds (distance) P-C4' energy: -12.264 flat angles C4'-P-C4' energy: -13.812 flat angles P-C4'-P energy: -13.360 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: 4, replica: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -162.137732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.137732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.137732 (E_RNA) where: Base-Base interactions energy: -91.633 where: short stacking energy: -46.593 Base-Backbone interact. energy: -2.604 local terms energy: -67.901008 where: bonds (distance) C4'-P energy: -14.469 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -9.364 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: 5, replica: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -142.182262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.182262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.182262 (E_RNA) where: Base-Base interactions energy: -83.100 where: short stacking energy: -40.809 Base-Backbone interact. energy: -0.577 local terms energy: -58.504896 where: bonds (distance) C4'-P energy: -11.187 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -11.804 tors. eta vs tors. theta energy: -8.565 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: 5 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -137.330442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.330442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.330442 (E_RNA) where: Base-Base interactions energy: -86.057 where: short stacking energy: -53.941 Base-Backbone interact. energy: -0.033 local terms energy: -51.239950 where: bonds (distance) C4'-P energy: -9.548 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -8.700 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -11.312 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: 326 Temperature: 1.200000 Total energy: -80.968951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.968951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.968951 (E_RNA) where: Base-Base interactions energy: -28.725 where: short stacking energy: -20.046 Base-Backbone interact. energy: -0.090 local terms energy: -52.154269 where: bonds (distance) C4'-P energy: -16.051 bonds (distance) P-C4' energy: -15.023 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -5.731 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -72.876200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.876200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.876200 (E_RNA) where: Base-Base interactions energy: -32.559 where: short stacking energy: -18.846 Base-Backbone interact. energy: -0.099 local terms energy: -40.218241 where: bonds (distance) C4'-P energy: -12.012 bonds (distance) P-C4' energy: -9.602 flat angles C4'-P-C4' energy: -12.196 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: 1.595 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: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -83.098354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.098354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.098354 (E_RNA) where: Base-Base interactions energy: -34.719 where: short stacking energy: -22.622 Base-Backbone interact. energy: -0.047 local terms energy: -48.332189 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -11.825 flat angles P-C4'-P energy: -9.381 tors. eta vs tors. theta energy: -0.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -70.002638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.002638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.002638 (E_RNA) where: Base-Base interactions energy: -26.468 where: short stacking energy: -16.914 Base-Backbone interact. energy: -0.213 local terms energy: -43.321811 where: bonds (distance) C4'-P energy: -11.072 bonds (distance) P-C4' energy: -15.121 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -8.101 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: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -181.407520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.407520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.407520 (E_RNA) where: Base-Base interactions energy: -114.450 where: short stacking energy: -56.957 Base-Backbone interact. energy: -0.164 local terms energy: -66.793913 where: bonds (distance) C4'-P energy: -15.235 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -14.558 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -15.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -180.253067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.253067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.253067 (E_RNA) where: Base-Base interactions energy: -118.582 where: short stacking energy: -59.000 Base-Backbone interact. energy: -0.691 local terms energy: -60.980586 where: bonds (distance) C4'-P energy: -12.549 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -7.286 tors. eta vs tors. theta energy: -16.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -167.592497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.592497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.592497 (E_RNA) where: Base-Base interactions energy: -97.979 where: short stacking energy: -50.699 Base-Backbone interact. energy: -0.004 local terms energy: -69.609291 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -10.744 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: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -148.004777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.004777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.004777 (E_RNA) where: Base-Base interactions energy: -83.838 where: short stacking energy: -42.634 Base-Backbone interact. energy: -0.014 local terms energy: -64.152344 where: bonds (distance) C4'-P energy: -13.711 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -12.522 flat angles P-C4'-P energy: -11.731 tors. eta vs tors. theta energy: -11.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -158.512974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.512974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.512974 (E_RNA) where: Base-Base interactions energy: -100.673 where: short stacking energy: -43.583 Base-Backbone interact. energy: -0.314 local terms energy: -57.526137 where: bonds (distance) C4'-P energy: -12.372 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -0.443 tors. eta vs tors. theta energy: -14.569 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: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -126.241667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.241667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.241667 (E_RNA) where: Base-Base interactions energy: -67.586 where: short stacking energy: -37.222 Base-Backbone interact. energy: -0.431 local terms energy: -58.224673 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -15.563 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -8.570 tors. eta vs tors. theta energy: -9.144 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: 7 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -81.797842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.797842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.797842 (E_RNA) where: Base-Base interactions energy: -33.567 where: short stacking energy: -25.038 Base-Backbone interact. energy: -0.199 local terms energy: -48.032643 where: bonds (distance) C4'-P energy: -12.561 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -10.636 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -2.853 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: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -76.253767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.253767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.253767 (E_RNA) where: Base-Base interactions energy: -25.532 where: short stacking energy: -23.591 Base-Backbone interact. energy: -0.311 local terms energy: -50.410549 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -8.170 tors. eta vs tors. theta energy: -3.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -70.957924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.957924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.957924 (E_RNA) where: Base-Base interactions energy: -21.112 where: short stacking energy: -14.825 Base-Backbone interact. energy: -1.013 local terms energy: -48.832948 where: bonds (distance) C4'-P energy: -13.629 bonds (distance) P-C4' energy: -12.368 flat angles C4'-P-C4' energy: -13.522 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: 0.840 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: 8 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -72.971490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.971490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.971490 (E_RNA) where: Base-Base interactions energy: -24.807 where: short stacking energy: -24.323 Base-Backbone interact. energy: -0.017 local terms energy: -48.146608 where: bonds (distance) C4'-P energy: -11.471 bonds (distance) P-C4' energy: -14.058 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -10.687 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: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -174.360474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.360474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.360474 (E_RNA) where: Base-Base interactions energy: -112.935 where: short stacking energy: -51.432 Base-Backbone interact. energy: -0.763 local terms energy: -60.662108 where: bonds (distance) C4'-P energy: -14.694 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -10.046 flat angles P-C4'-P energy: -11.486 tors. eta vs tors. theta energy: -11.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -177.265426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.265426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.265426 (E_RNA) where: Base-Base interactions energy: -111.810 where: short stacking energy: -51.028 Base-Backbone interact. energy: -0.082 local terms energy: -65.373368 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -16.070 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -15.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -165.285259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.285259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.285259 (E_RNA) where: Base-Base interactions energy: -104.135 where: short stacking energy: -42.196 Base-Backbone interact. energy: -0.298 local terms energy: -60.851879 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -12.632 flat angles C4'-P-C4' energy: -15.114 flat angles P-C4'-P energy: -9.800 tors. eta vs tors. theta energy: -11.776 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: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -171.541042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.541042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.541042 (E_RNA) where: Base-Base interactions energy: -112.711 where: short stacking energy: -49.772 Base-Backbone interact. energy: -0.002 local terms energy: -58.827556 where: bonds (distance) C4'-P energy: -10.048 bonds (distance) P-C4' energy: -13.069 flat angles C4'-P-C4' energy: -12.176 flat angles P-C4'-P energy: -8.009 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: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -159.839716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.839716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.839716 (E_RNA) where: Base-Base interactions energy: -99.503 where: short stacking energy: -54.550 Base-Backbone interact. energy: -0.618 local terms energy: -59.718338 where: bonds (distance) C4'-P energy: -10.359 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -90.199044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.199044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.199044 (E_RNA) where: Base-Base interactions energy: -50.695 where: short stacking energy: -35.978 Base-Backbone interact. energy: -0.187 local terms energy: -39.316803 where: bonds (distance) C4'-P energy: -9.337 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -8.693 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -5.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -80.990952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.990952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.990952 (E_RNA) where: Base-Base interactions energy: -32.428 where: short stacking energy: -23.504 Base-Backbone interact. energy: -0.466 local terms energy: -48.096862 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -9.974 flat angles P-C4'-P energy: -7.595 tors. eta vs tors. theta energy: -5.325 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: 328 Temperature: 1.250000 Total energy: -83.028410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.028410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.028410 (E_RNA) where: Base-Base interactions energy: -27.608 where: short stacking energy: -19.671 Base-Backbone interact. energy: 4.291 local terms energy: -59.711892 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -15.393 flat angles C4'-P-C4' energy: -15.699 flat angles P-C4'-P energy: -8.909 tors. eta vs tors. theta energy: -5.621 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: 9, replica: 8 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -85.084610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.084610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.084610 (E_RNA) where: Base-Base interactions energy: -34.983 where: short stacking energy: -34.983 Base-Backbone interact. energy: -0.050 local terms energy: -50.051637 where: bonds (distance) C4'-P energy: -13.803 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -7.249 tors. eta vs tors. theta energy: -3.990 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: 10, replica: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -85.024978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.024978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.024978 (E_RNA) where: Base-Base interactions energy: -32.010 where: short stacking energy: -32.010 Base-Backbone interact. energy: -0.007 local terms energy: -53.008149 where: bonds (distance) C4'-P energy: -11.244 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -15.101 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -9.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -181.620592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.620592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.620592 (E_RNA) where: Base-Base interactions energy: -125.466 where: short stacking energy: -49.869 Base-Backbone interact. energy: -0.510 local terms energy: -55.644398 where: bonds (distance) C4'-P energy: -11.531 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -11.198 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -11.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -171.048504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.048504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.048504 (E_RNA) where: Base-Base interactions energy: -109.723 where: short stacking energy: -36.041 Base-Backbone interact. energy: -1.277 local terms energy: -60.048787 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -9.033 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: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -177.422925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.422925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.422925 (E_RNA) where: Base-Base interactions energy: -109.098 where: short stacking energy: -47.028 Base-Backbone interact. energy: -0.000 local terms energy: -68.324152 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -15.043 flat angles C4'-P-C4' energy: -14.814 flat angles P-C4'-P energy: -7.796 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: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -161.948099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.948099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.948099 (E_RNA) where: Base-Base interactions energy: -94.613 where: short stacking energy: -47.933 Base-Backbone interact. energy: -0.679 local terms energy: -66.655824 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -14.686 flat angles P-C4'-P energy: -11.302 tors. eta vs tors. theta energy: -14.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -161.025363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.025363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.025363 (E_RNA) where: Base-Base interactions energy: -101.267 where: short stacking energy: -42.460 Base-Backbone interact. energy: -0.145 local terms energy: -59.612746 where: bonds (distance) C4'-P energy: -8.888 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -9.690 tors. eta vs tors. theta energy: -12.688 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: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -87.174766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.174766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.174766 (E_RNA) where: Base-Base interactions energy: -31.353 where: short stacking energy: -27.609 Base-Backbone interact. energy: -0.098 local terms energy: -55.723266 where: bonds (distance) C4'-P energy: -12.026 bonds (distance) P-C4' energy: -15.805 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -8.585 tors. eta vs tors. theta energy: -6.441 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: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -85.389622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.389622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.389622 (E_RNA) where: Base-Base interactions energy: -37.011 where: short stacking energy: -22.143 Base-Backbone interact. energy: -0.173 local terms energy: -48.206123 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -11.202 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: 0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -72.606036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.606036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.606036 (E_RNA) where: Base-Base interactions energy: -26.896 where: short stacking energy: -10.899 Base-Backbone interact. energy: -0.689 local terms energy: -45.021634 where: bonds (distance) C4'-P energy: -12.835 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -7.839 tors. eta vs tors. theta energy: 0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -96.258818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.258818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.258818 (E_RNA) where: Base-Base interactions energy: -42.975 where: short stacking energy: -42.975 Base-Backbone interact. energy: -0.101 local terms energy: -53.183004 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -14.301 flat angles C4'-P-C4' energy: -11.674 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -10.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -74.075990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.075990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.075990 (E_RNA) where: Base-Base interactions energy: -20.838 where: short stacking energy: -14.139 Base-Backbone interact. energy: -0.296 local terms energy: -52.941602 where: bonds (distance) C4'-P energy: -14.974 bonds (distance) P-C4' energy: -14.154 flat angles C4'-P-C4' energy: -15.315 flat angles P-C4'-P energy: -8.111 tors. eta vs tors. theta energy: -0.388 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: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -178.895321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.895321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.895321 (E_RNA) where: Base-Base interactions energy: -118.143 where: short stacking energy: -48.163 Base-Backbone interact. energy: -0.293 local terms energy: -60.459784 where: bonds (distance) C4'-P energy: -12.312 bonds (distance) P-C4' energy: -12.782 flat angles C4'-P-C4' energy: -16.296 flat angles P-C4'-P energy: -8.998 tors. eta vs tors. theta energy: -10.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -177.410999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.410999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.410999 (E_RNA) where: Base-Base interactions energy: -112.460 where: short stacking energy: -55.031 Base-Backbone interact. energy: -0.869 local terms energy: -64.081885 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -11.918 flat angles C4'-P-C4' energy: -14.129 flat angles P-C4'-P energy: -9.105 tors. eta vs tors. theta energy: -13.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -166.032625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.032625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.032625 (E_RNA) where: Base-Base interactions energy: -103.406 where: short stacking energy: -48.760 Base-Backbone interact. energy: -0.035 local terms energy: -62.591021 where: bonds (distance) C4'-P energy: -11.767 bonds (distance) P-C4' energy: -15.975 flat angles C4'-P-C4' energy: -14.818 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -13.382 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: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -175.970887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.970887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.970887 (E_RNA) where: Base-Base interactions energy: -109.761 where: short stacking energy: -59.809 Base-Backbone interact. energy: -0.861 local terms energy: -65.348850 where: bonds (distance) C4'-P energy: -14.197 bonds (distance) P-C4' energy: -14.309 flat angles C4'-P-C4' energy: -13.679 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -16.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -152.013967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.013967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.013967 (E_RNA) where: Base-Base interactions energy: -94.376 where: short stacking energy: -46.795 Base-Backbone interact. energy: -0.213 local terms energy: -57.424697 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -11.034 flat angles C4'-P-C4' energy: -12.385 flat angles P-C4'-P energy: -6.447 tors. eta vs tors. theta energy: -13.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -92.469412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.469412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.469412 (E_RNA) where: Base-Base interactions energy: -41.642 where: short stacking energy: -41.642 Base-Backbone interact. energy: -0.140 local terms energy: -50.687658 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -9.544 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -9.552 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: 8 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -81.956960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.956960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.956960 (E_RNA) where: Base-Base interactions energy: -37.889 where: short stacking energy: -27.412 Base-Backbone interact. energy: 2.151 local terms energy: -46.218942 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -11.998 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -84.538488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.538488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.538488 (E_RNA) where: Base-Base interactions energy: -40.244 where: short stacking energy: -40.244 Base-Backbone interact. energy: -0.002 local terms energy: -44.292083 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -10.419 flat angles C4'-P-C4' energy: -13.438 flat angles P-C4'-P energy: -8.668 tors. eta vs tors. theta energy: -6.645 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: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -72.486247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.486247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.486247 (E_RNA) where: Base-Base interactions energy: -32.278 where: short stacking energy: -27.526 Base-Backbone interact. energy: -0.084 local terms energy: -40.124413 where: bonds (distance) C4'-P energy: -8.939 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: 3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -62.142264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.142264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.142264 (E_RNA) where: Base-Base interactions energy: -20.908 where: short stacking energy: -20.908 Base-Backbone interact. energy: -0.126 local terms energy: -41.108353 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -12.332 flat angles C4'-P-C4' energy: -10.555 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: 1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -182.469546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.469546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.469546 (E_RNA) where: Base-Base interactions energy: -119.678 where: short stacking energy: -60.160 Base-Backbone interact. energy: -0.154 local terms energy: -62.637161 where: bonds (distance) C4'-P energy: -11.486 bonds (distance) P-C4' energy: -15.213 flat angles C4'-P-C4' energy: -11.753 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -13.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -182.753273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.753273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.753273 (E_RNA) where: Base-Base interactions energy: -114.390 where: short stacking energy: -50.899 Base-Backbone interact. energy: -0.079 local terms energy: -68.284145 where: bonds (distance) C4'-P energy: -13.901 bonds (distance) P-C4' energy: -16.425 flat angles C4'-P-C4' energy: -12.031 flat angles P-C4'-P energy: -12.571 tors. eta vs tors. theta energy: -13.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -180.676786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.676786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.676786 (E_RNA) where: Base-Base interactions energy: -115.694 where: short stacking energy: -58.453 Base-Backbone interact. energy: -0.811 local terms energy: -64.171597 where: bonds (distance) C4'-P energy: -12.709 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -14.198 flat angles P-C4'-P energy: -4.800 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: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -146.024388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.024388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.024388 (E_RNA) where: Base-Base interactions energy: -84.460 where: short stacking energy: -43.935 Base-Backbone interact. energy: -0.097 local terms energy: -61.467414 where: bonds (distance) C4'-P energy: -11.504 bonds (distance) P-C4' energy: -11.252 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -15.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -169.856017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.856017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.856017 (E_RNA) where: Base-Base interactions energy: -103.363 where: short stacking energy: -55.788 Base-Backbone interact. energy: -0.967 local terms energy: -65.526024 where: bonds (distance) C4'-P energy: -8.330 bonds (distance) P-C4' energy: -11.804 flat angles C4'-P-C4' energy: -14.933 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -20.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -89.971021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.971021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.971021 (E_RNA) where: Base-Base interactions energy: -31.019 where: short stacking energy: -31.019 Base-Backbone interact. energy: -0.188 local terms energy: -58.764016 where: bonds (distance) C4'-P energy: -11.960 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -11.599 flat angles P-C4'-P energy: -13.097 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: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -85.715647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.715647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.715647 (E_RNA) where: Base-Base interactions energy: -30.473 where: short stacking energy: -27.852 Base-Backbone interact. energy: -0.025 local terms energy: -55.217006 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -13.014 flat angles P-C4'-P energy: -7.949 tors. eta vs tors. theta energy: -8.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -85.038290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.038290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.038290 (E_RNA) where: Base-Base interactions energy: -43.678 where: short stacking energy: -32.428 Base-Backbone interact. energy: -0.216 local terms energy: -41.144217 where: bonds (distance) C4'-P energy: -1.848 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -15.168 flat angles P-C4'-P energy: -8.111 tors. eta vs tors. theta energy: -1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -70.333737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.333737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.333737 (E_RNA) where: Base-Base interactions energy: -25.456 where: short stacking energy: -22.197 Base-Backbone interact. energy: -0.125 local terms energy: -44.752906 where: bonds (distance) C4'-P energy: -10.433 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -10.910 flat angles P-C4'-P energy: -9.146 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -69.687857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.687857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.687857 (E_RNA) where: Base-Base interactions energy: -21.274 where: short stacking energy: -21.162 Base-Backbone interact. energy: -0.115 local terms energy: -48.298526 where: bonds (distance) C4'-P energy: -13.589 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -14.069 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -184.331479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.331479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.331479 (E_RNA) where: Base-Base interactions energy: -128.233 where: short stacking energy: -51.025 Base-Backbone interact. energy: -0.110 local terms energy: -55.988452 where: bonds (distance) C4'-P energy: -16.026 bonds (distance) P-C4' energy: -12.723 flat angles C4'-P-C4' energy: -11.202 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: -9.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -177.818514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.818514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.818514 (E_RNA) where: Base-Base interactions energy: -111.603 where: short stacking energy: -54.259 Base-Backbone interact. energy: -0.522 local terms energy: -65.693001 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -9.727 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: 3, replica: 2 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -167.755935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.755935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.755935 (E_RNA) where: Base-Base interactions energy: -105.307 where: short stacking energy: -49.040 Base-Backbone interact. energy: -0.012 local terms energy: -62.436679 where: bonds (distance) C4'-P energy: -14.925 bonds (distance) P-C4' energy: -13.720 flat angles C4'-P-C4' energy: -10.652 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -15.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -164.228833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.228833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.228833 (E_RNA) where: Base-Base interactions energy: -105.005 where: short stacking energy: -49.067 Base-Backbone interact. energy: -0.912 local terms energy: -58.311636 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -11.595 flat angles C4'-P-C4' energy: -12.621 flat angles P-C4'-P energy: -6.608 tors. eta vs tors. theta energy: -13.242 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: 332 Temperature: 1.100000 Total energy: -157.357836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.357836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.357836 (E_RNA) where: Base-Base interactions energy: -91.158 where: short stacking energy: -45.853 Base-Backbone interact. energy: -0.238 local terms energy: -65.961813 where: bonds (distance) C4'-P energy: -13.137 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -16.416 flat angles P-C4'-P energy: -11.148 tors. eta vs tors. theta energy: -11.877 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: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -108.136480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.136480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.136480 (E_RNA) where: Base-Base interactions energy: -50.101 where: short stacking energy: -48.883 Base-Backbone interact. energy: 0.632 local terms energy: -58.667172 where: bonds (distance) C4'-P energy: -11.037 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -15.546 flat angles P-C4'-P energy: -8.650 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: 7, replica: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -81.848592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.848592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.848592 (E_RNA) where: Base-Base interactions energy: -34.240 where: short stacking energy: -33.373 Base-Backbone interact. energy: -0.146 local terms energy: -47.462610 where: bonds (distance) C4'-P energy: -12.189 bonds (distance) P-C4' energy: -12.334 flat angles C4'-P-C4' energy: -10.030 flat angles P-C4'-P energy: -7.356 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: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -85.455642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.455642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.455642 (E_RNA) where: Base-Base interactions energy: -45.406 where: short stacking energy: -20.202 Base-Backbone interact. energy: -0.433 local terms energy: -39.616484 where: bonds (distance) C4'-P energy: -15.669 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -9.362 flat angles P-C4'-P energy: -2.207 tors. eta vs tors. theta energy: 0.436 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: 7 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -75.600307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.600307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.600307 (E_RNA) where: Base-Base interactions energy: -24.134 where: short stacking energy: -24.134 Base-Backbone interact. energy: -0.014 local terms energy: -51.452031 where: bonds (distance) C4'-P energy: -12.594 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -7.484 tors. eta vs tors. theta energy: -5.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -73.244606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.244606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.244606 (E_RNA) where: Base-Base interactions energy: -31.212 where: short stacking energy: -21.069 Base-Backbone interact. energy: -0.779 local terms energy: -41.252986 where: bonds (distance) C4'-P energy: -9.244 bonds (distance) P-C4' energy: -13.943 flat angles C4'-P-C4' energy: -9.947 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -189.256347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.256347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.256347 (E_RNA) where: Base-Base interactions energy: -127.918 where: short stacking energy: -59.051 Base-Backbone interact. energy: -0.987 local terms energy: -60.351090 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -13.523 flat angles C4'-P-C4' energy: -14.524 flat angles P-C4'-P energy: -5.972 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: 2, replica: 2 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -182.707034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.707034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.707034 (E_RNA) where: Base-Base interactions energy: -116.387 where: short stacking energy: -52.568 Base-Backbone interact. energy: -0.321 local terms energy: -65.999407 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -7.257 tors. eta vs tors. theta energy: -16.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -168.362883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.362883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.362883 (E_RNA) where: Base-Base interactions energy: -102.492 where: short stacking energy: -58.793 Base-Backbone interact. energy: -0.001 local terms energy: -65.869834 where: bonds (distance) C4'-P energy: -15.405 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -12.314 flat angles P-C4'-P energy: -9.567 tors. eta vs tors. theta energy: -15.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -155.943487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.943487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.943487 (E_RNA) where: Base-Base interactions energy: -90.845 where: short stacking energy: -50.731 Base-Backbone interact. energy: -0.757 local terms energy: -64.341608 where: bonds (distance) C4'-P energy: -14.776 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -10.049 tors. eta vs tors. theta energy: -10.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -144.548838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.548838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.548838 (E_RNA) where: Base-Base interactions energy: -88.025 where: short stacking energy: -45.714 Base-Backbone interact. energy: 0.888 local terms energy: -57.412576 where: bonds (distance) C4'-P energy: -10.209 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -11.255 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: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -90.728020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.728020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.728020 (E_RNA) where: Base-Base interactions energy: -38.713 where: short stacking energy: -26.676 Base-Backbone interact. energy: -0.212 local terms energy: -51.803540 where: bonds (distance) C4'-P energy: -15.418 bonds (distance) P-C4' energy: -15.589 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -9.038 tors. eta vs tors. theta energy: -3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -77.938560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.938560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.938560 (E_RNA) where: Base-Base interactions energy: -29.325 where: short stacking energy: -27.606 Base-Backbone interact. energy: -0.021 local terms energy: -48.592152 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -7.548 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: 8, replica: 7 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -80.411567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.411567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.411567 (E_RNA) where: Base-Base interactions energy: -30.302 where: short stacking energy: -24.625 Base-Backbone interact. energy: -0.065 local terms energy: -50.044634 where: bonds (distance) C4'-P energy: -11.592 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -9.844 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -10.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -68.772160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.772160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.772160 (E_RNA) where: Base-Base interactions energy: -30.448 where: short stacking energy: -22.994 Base-Backbone interact. energy: -0.276 local terms energy: -38.047963 where: bonds (distance) C4'-P energy: -9.923 bonds (distance) P-C4' energy: -10.038 flat angles C4'-P-C4' energy: -9.898 flat angles P-C4'-P energy: -9.254 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: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -78.707251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.707251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.707251 (E_RNA) where: Base-Base interactions energy: -31.356 where: short stacking energy: -31.150 Base-Backbone interact. energy: -0.088 local terms energy: -47.262621 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -8.907 flat angles P-C4'-P energy: -8.360 tors. eta vs tors. theta energy: -6.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -193.269954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.269954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.269954 (E_RNA) where: Base-Base interactions energy: -129.097 where: short stacking energy: -45.804 Base-Backbone interact. energy: -0.718 local terms energy: -63.455330 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -14.373 flat angles C4'-P-C4' energy: -16.259 flat angles P-C4'-P energy: -7.355 tors. eta vs tors. theta energy: -11.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -179.313367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.313367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.313367 (E_RNA) where: Base-Base interactions energy: -113.271 where: short stacking energy: -59.250 Base-Backbone interact. energy: -0.282 local terms energy: -65.759490 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -16.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -172.647510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.647510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.647510 (E_RNA) where: Base-Base interactions energy: -112.571 where: short stacking energy: -55.832 Base-Backbone interact. energy: -1.458 local terms energy: -58.618716 where: bonds (distance) C4'-P energy: -14.434 bonds (distance) P-C4' energy: -10.028 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -15.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -159.796785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.796785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.796785 (E_RNA) where: Base-Base interactions energy: -96.116 where: short stacking energy: -46.470 Base-Backbone interact. energy: -0.058 local terms energy: -63.622869 where: bonds (distance) C4'-P energy: -14.991 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -15.309 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -11.936 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: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -155.952466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.952466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.952466 (E_RNA) where: Base-Base interactions energy: -96.828 where: short stacking energy: -41.442 Base-Backbone interact. energy: 1.376 local terms energy: -60.501042 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -13.658 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -10.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -89.572644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.572644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.572644 (E_RNA) where: Base-Base interactions energy: -35.392 where: short stacking energy: -28.702 Base-Backbone interact. energy: -0.499 local terms energy: -53.681803 where: bonds (distance) C4'-P energy: -14.341 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -8.593 tors. eta vs tors. theta energy: -6.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -80.408278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.408278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.408278 (E_RNA) where: Base-Base interactions energy: -26.597 where: short stacking energy: -24.168 Base-Backbone interact. energy: -0.064 local terms energy: -53.747274 where: bonds (distance) C4'-P energy: -14.871 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -6.096 tors. eta vs tors. theta energy: -7.185 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: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -91.102608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.102608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.102608 (E_RNA) where: Base-Base interactions energy: -46.263 where: short stacking energy: -25.152 Base-Backbone interact. energy: -0.136 local terms energy: -44.703278 where: bonds (distance) C4'-P energy: -12.759 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -11.913 flat angles P-C4'-P energy: -8.419 tors. eta vs tors. theta energy: 1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -76.269443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.269443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.269443 (E_RNA) where: Base-Base interactions energy: -25.922 where: short stacking energy: -24.557 Base-Backbone interact. energy: -0.150 local terms energy: -50.197480 where: bonds (distance) C4'-P energy: -11.782 bonds (distance) P-C4' energy: -14.711 flat angles C4'-P-C4' energy: -11.987 flat angles P-C4'-P energy: -8.403 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -63.036250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.036250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.036250 (E_RNA) where: Base-Base interactions energy: -18.396 where: short stacking energy: -6.061 Base-Backbone interact. energy: 0.460 local terms energy: -45.100169 where: bonds (distance) C4'-P energy: -14.135 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -10.324 flat angles P-C4'-P energy: -8.495 tors. eta vs tors. theta energy: 3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -200.580238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.580238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.580238 (E_RNA) where: Base-Base interactions energy: -133.977 where: short stacking energy: -48.307 Base-Backbone interact. energy: -0.430 local terms energy: -66.173955 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -15.272 flat angles P-C4'-P energy: -9.941 tors. eta vs tors. theta energy: -11.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -175.924069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.924069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.924069 (E_RNA) where: Base-Base interactions energy: -108.004 where: short stacking energy: -57.763 Base-Backbone interact. energy: -0.161 local terms energy: -67.759118 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -15.755 flat angles P-C4'-P energy: -8.614 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: 3, replica: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -172.013309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.013309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.013309 (E_RNA) where: Base-Base interactions energy: -100.647 where: short stacking energy: -53.215 Base-Backbone interact. energy: 0.243 local terms energy: -71.609258 where: bonds (distance) C4'-P energy: -15.624 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -15.821 flat angles P-C4'-P energy: -10.322 tors. eta vs tors. theta energy: -16.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -163.281398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.281398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.281398 (E_RNA) where: Base-Base interactions energy: -100.439 where: short stacking energy: -50.045 Base-Backbone interact. energy: -0.004 local terms energy: -62.838251 where: bonds (distance) C4'-P energy: -15.529 bonds (distance) P-C4' energy: -12.334 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -6.608 tors. eta vs tors. theta energy: -14.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -147.189161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.189161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.189161 (E_RNA) where: Base-Base interactions energy: -85.725 where: short stacking energy: -42.961 Base-Backbone interact. energy: 0.770 local terms energy: -62.233337 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -15.570 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -8.395 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: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -87.509919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.509919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.509919 (E_RNA) where: Base-Base interactions energy: -39.385 where: short stacking energy: -31.383 Base-Backbone interact. energy: -0.056 local terms energy: -48.068374 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -11.860 flat angles C4'-P-C4' energy: -11.063 flat angles P-C4'-P energy: -5.384 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: 7, replica: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -80.612527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.612527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.612527 (E_RNA) where: Base-Base interactions energy: -26.204 where: short stacking energy: -26.204 Base-Backbone interact. energy: -0.061 local terms energy: -54.347840 where: bonds (distance) C4'-P energy: -15.723 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -6.686 tors. eta vs tors. theta energy: -4.452 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: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -104.112608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.112608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.112608 (E_RNA) where: Base-Base interactions energy: -54.656 where: short stacking energy: -31.650 Base-Backbone interact. energy: -0.172 local terms energy: -49.284730 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -12.137 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -3.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -67.270969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.270969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.270969 (E_RNA) where: Base-Base interactions energy: -25.543 where: short stacking energy: -14.175 Base-Backbone interact. energy: -1.232 local terms energy: -40.496272 where: bonds (distance) C4'-P energy: -10.852 bonds (distance) P-C4' energy: -12.780 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: 0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -68.757671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.757671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.757671 (E_RNA) where: Base-Base interactions energy: -22.355 where: short stacking energy: -22.269 Base-Backbone interact. energy: -0.080 local terms energy: -46.322992 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -13.437 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -8.019 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -176.355650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.355650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.355650 (E_RNA) where: Base-Base interactions energy: -108.938 where: short stacking energy: -61.602 Base-Backbone interact. energy: -0.002 local terms energy: -67.415211 where: bonds (distance) C4'-P energy: -8.682 bonds (distance) P-C4' energy: -14.513 flat angles C4'-P-C4' energy: -16.211 flat angles P-C4'-P energy: -13.132 tors. eta vs tors. theta energy: -14.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -192.038891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.038891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.038891 (E_RNA) where: Base-Base interactions energy: -125.854 where: short stacking energy: -49.266 Base-Backbone interact. energy: -0.401 local terms energy: -65.784014 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -9.912 tors. eta vs tors. theta energy: -14.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -162.483700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.483700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.483700 (E_RNA) where: Base-Base interactions energy: -95.078 where: short stacking energy: -47.728 Base-Backbone interact. energy: -0.249 local terms energy: -67.156399 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -11.023 tors. eta vs tors. theta energy: -14.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -173.242172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.242172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.242172 (E_RNA) where: Base-Base interactions energy: -110.501 where: short stacking energy: -52.295 Base-Backbone interact. energy: -0.108 local terms energy: -62.632291 where: bonds (distance) C4'-P energy: -12.325 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -15.003 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -17.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -148.159657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.159657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.159657 (E_RNA) where: Base-Base interactions energy: -93.121 where: short stacking energy: -44.062 Base-Backbone interact. energy: -0.218 local terms energy: -54.820812 where: bonds (distance) C4'-P energy: -13.169 bonds (distance) P-C4' energy: -9.497 flat angles C4'-P-C4' energy: -11.447 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -10.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -77.443050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.443050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.443050 (E_RNA) where: Base-Base interactions energy: -27.555 where: short stacking energy: -18.339 Base-Backbone interact. energy: -0.319 local terms energy: -49.569401 where: bonds (distance) C4'-P energy: -11.146 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -15.447 flat angles P-C4'-P energy: -5.690 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: 7, replica: 4 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -77.288306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.288306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.288306 (E_RNA) where: Base-Base interactions energy: -33.470 where: short stacking energy: -27.128 Base-Backbone interact. energy: -0.201 local terms energy: -43.616800 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -10.301 flat angles P-C4'-P energy: -6.783 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -88.435635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.435635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.435635 (E_RNA) where: Base-Base interactions energy: -31.992 where: short stacking energy: -31.992 Base-Backbone interact. energy: -0.003 local terms energy: -56.440683 where: bonds (distance) C4'-P energy: -14.410 bonds (distance) P-C4' energy: -15.619 flat angles C4'-P-C4' energy: -11.126 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -8.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -70.150492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.150492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.150492 (E_RNA) where: Base-Base interactions energy: -30.073 where: short stacking energy: -29.738 Base-Backbone interact. energy: -1.188 local terms energy: -38.889928 where: bonds (distance) C4'-P energy: -9.030 bonds (distance) P-C4' energy: -10.924 flat angles C4'-P-C4' energy: -11.004 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -70.027689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.027689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.027689 (E_RNA) where: Base-Base interactions energy: -24.075 where: short stacking energy: -17.161 Base-Backbone interact. energy: -0.472 local terms energy: -45.480179 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -13.857 flat angles C4'-P-C4' energy: -13.479 flat angles P-C4'-P energy: -7.658 tors. eta vs tors. theta energy: 1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -181.887077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.887077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.887077 (E_RNA) where: Base-Base interactions energy: -110.023 where: short stacking energy: -50.732 Base-Backbone interact. energy: -1.265 local terms energy: -70.599267 where: bonds (distance) C4'-P energy: -14.917 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -12.270 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: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -172.853640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.853640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.853640 (E_RNA) where: Base-Base interactions energy: -112.638 where: short stacking energy: -57.643 Base-Backbone interact. energy: -0.073 local terms energy: -60.142487 where: bonds (distance) C4'-P energy: -13.568 bonds (distance) P-C4' energy: -14.576 flat angles C4'-P-C4' energy: -13.054 flat angles P-C4'-P energy: -1.538 tors. eta vs tors. theta energy: -17.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -185.460450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.460450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.460450 (E_RNA) where: Base-Base interactions energy: -123.302 where: short stacking energy: -52.097 Base-Backbone interact. energy: 0.493 local terms energy: -62.651945 where: bonds (distance) C4'-P energy: -13.108 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -10.559 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -16.172 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: 337 Temperature: 1.050000 Total energy: -167.518935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.518935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.518935 (E_RNA) where: Base-Base interactions energy: -107.080 where: short stacking energy: -50.394 Base-Backbone interact. energy: -0.340 local terms energy: -60.099051 where: bonds (distance) C4'-P energy: -9.427 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -14.750 flat angles P-C4'-P energy: -6.800 tors. eta vs tors. theta energy: -15.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -151.763407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.763407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.763407 (E_RNA) where: Base-Base interactions energy: -95.867 where: short stacking energy: -44.729 Base-Backbone interact. energy: -0.234 local terms energy: -55.662510 where: bonds (distance) C4'-P energy: -12.098 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -10.484 flat angles P-C4'-P energy: -10.576 tors. eta vs tors. theta energy: -10.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -83.689746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.689746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.689746 (E_RNA) where: Base-Base interactions energy: -35.982 where: short stacking energy: -21.504 Base-Backbone interact. energy: -0.059 local terms energy: -47.648694 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -13.969 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -93.135953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.135953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.135953 (E_RNA) where: Base-Base interactions energy: -42.851 where: short stacking energy: -42.851 Base-Backbone interact. energy: -0.000 local terms energy: -50.284929 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -12.632 flat angles C4'-P-C4' energy: -11.178 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: -8.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -82.769068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.769068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.769068 (E_RNA) where: Base-Base interactions energy: -29.937 where: short stacking energy: -29.937 Base-Backbone interact. energy: -0.206 local terms energy: -52.626159 where: bonds (distance) C4'-P energy: -15.136 bonds (distance) P-C4' energy: -15.625 flat angles C4'-P-C4' energy: -14.306 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -69.202992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.202992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.202992 (E_RNA) where: Base-Base interactions energy: -23.563 where: short stacking energy: -23.563 Base-Backbone interact. energy: -0.138 local terms energy: -45.501699 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -11.316 flat angles C4'-P-C4' energy: -13.023 flat angles P-C4'-P energy: -8.157 tors. eta vs tors. theta energy: -3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -72.462369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.462369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.462369 (E_RNA) where: Base-Base interactions energy: -28.925 where: short stacking energy: -19.668 Base-Backbone interact. energy: -0.245 local terms energy: -43.292372 where: bonds (distance) C4'-P energy: -7.799 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -12.640 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -188.909068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.909068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.909068 (E_RNA) where: Base-Base interactions energy: -117.804 where: short stacking energy: -61.510 Base-Backbone interact. energy: -0.581 local terms energy: -70.523437 where: bonds (distance) C4'-P energy: -14.221 bonds (distance) P-C4' energy: -15.850 flat angles C4'-P-C4' energy: -15.611 flat angles P-C4'-P energy: -10.187 tors. eta vs tors. theta energy: -14.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -167.004152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.004152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.004152 (E_RNA) where: Base-Base interactions energy: -103.926 where: short stacking energy: -43.685 Base-Backbone interact. energy: -1.455 local terms energy: -61.622999 where: bonds (distance) C4'-P energy: -15.286 bonds (distance) P-C4' energy: -12.569 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -4.767 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: 3, replica: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -181.458784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.458784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.458784 (E_RNA) where: Base-Base interactions energy: -117.540 where: short stacking energy: -50.535 Base-Backbone interact. energy: -0.007 local terms energy: -63.911829 where: bonds (distance) C4'-P energy: -10.019 bonds (distance) P-C4' energy: -15.822 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -15.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -162.534528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.534528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.534528 (E_RNA) where: Base-Base interactions energy: -107.657 where: short stacking energy: -48.437 Base-Backbone interact. energy: -0.336 local terms energy: -54.541577 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -6.200 tors. eta vs tors. theta energy: -14.150 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: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -106.155937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.155937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.155937 (E_RNA) where: Base-Base interactions energy: -53.442 where: short stacking energy: -36.631 Base-Backbone interact. energy: -0.295 local terms energy: -52.418398 where: bonds (distance) C4'-P energy: -11.823 bonds (distance) P-C4' energy: -10.857 flat angles C4'-P-C4' energy: -13.633 flat angles P-C4'-P energy: -9.796 tors. eta vs tors. theta energy: -6.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -152.032444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.032444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.032444 (E_RNA) where: Base-Base interactions energy: -96.716 where: short stacking energy: -44.756 Base-Backbone interact. energy: 1.472 local terms energy: -56.789225 where: bonds (distance) C4'-P energy: -9.965 bonds (distance) P-C4' energy: -10.796 flat angles C4'-P-C4' energy: -12.071 flat angles P-C4'-P energy: -9.086 tors. eta vs tors. theta energy: -14.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -89.224521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.224521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.224521 (E_RNA) where: Base-Base interactions energy: -38.281 where: short stacking energy: -24.480 Base-Backbone interact. energy: -0.198 local terms energy: -50.745652 where: bonds (distance) C4'-P energy: -12.760 bonds (distance) P-C4' energy: -14.838 flat angles C4'-P-C4' energy: -10.451 flat angles P-C4'-P energy: -10.427 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: 8, replica: 5 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -81.089303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.089303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.089303 (E_RNA) where: Base-Base interactions energy: -28.987 where: short stacking energy: -26.253 Base-Backbone interact. energy: -0.419 local terms energy: -51.682891 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: 0.880 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: 9, replica: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -70.622699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.622699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.622699 (E_RNA) where: Base-Base interactions energy: -29.272 where: short stacking energy: -12.674 Base-Backbone interact. energy: 0.804 local terms energy: -42.154235 where: bonds (distance) C4'-P energy: -10.471 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -11.283 flat angles P-C4'-P energy: -7.194 tors. eta vs tors. theta energy: 3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -62.808766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.808766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.808766 (E_RNA) where: Base-Base interactions energy: -15.615 where: short stacking energy: -15.307 Base-Backbone interact. energy: -0.251 local terms energy: -46.942281 where: bonds (distance) C4'-P energy: -14.589 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -12.416 flat angles P-C4'-P energy: -6.471 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: 1, replica: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -180.524138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.524138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.524138 (E_RNA) where: Base-Base interactions energy: -111.105 where: short stacking energy: -57.949 Base-Backbone interact. energy: -0.559 local terms energy: -68.860254 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -15.907 flat angles C4'-P-C4' energy: -15.954 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -14.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -179.642986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.642986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.642986 (E_RNA) where: Base-Base interactions energy: -120.033 where: short stacking energy: -43.352 Base-Backbone interact. energy: -0.410 local terms energy: -59.199823 where: bonds (distance) C4'-P energy: -11.940 bonds (distance) P-C4' energy: -16.411 flat angles C4'-P-C4' energy: -13.242 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -13.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -186.503247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.503247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.503247 (E_RNA) where: Base-Base interactions energy: -127.884 where: short stacking energy: -52.550 Base-Backbone interact. energy: 0.632 local terms energy: -59.251605 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -15.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -115.303984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.303984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.303984 (E_RNA) where: Base-Base interactions energy: -70.861 where: short stacking energy: -35.202 Base-Backbone interact. energy: -0.742 local terms energy: -43.700826 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -7.620 flat angles C4'-P-C4' energy: -9.765 flat angles P-C4'-P energy: -7.871 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: 5, replica: 9 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -159.292993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.292993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.292993 (E_RNA) where: Base-Base interactions energy: -92.239 where: short stacking energy: -43.202 Base-Backbone interact. energy: -0.251 local terms energy: -66.802338 where: bonds (distance) C4'-P energy: -14.440 bonds (distance) P-C4' energy: -15.212 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -7.592 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: 6, replica: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -150.517385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.517385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.517385 (E_RNA) where: Base-Base interactions energy: -101.937 where: short stacking energy: -39.037 Base-Backbone interact. energy: -0.759 local terms energy: -47.821861 where: bonds (distance) C4'-P energy: -14.441 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -5.687 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: 7, replica: 7 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -90.806431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.806431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.806431 (E_RNA) where: Base-Base interactions energy: -40.774 where: short stacking energy: -26.396 Base-Backbone interact. energy: -0.193 local terms energy: -49.839503 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -14.297 flat angles C4'-P-C4' energy: -11.561 flat angles P-C4'-P energy: -11.865 tors. eta vs tors. theta energy: 0.311 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: 339 Temperature: 1.250000 Total energy: -72.744429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.744429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.744429 (E_RNA) where: Base-Base interactions energy: -30.382 where: short stacking energy: -15.906 Base-Backbone interact. energy: -0.166 local terms energy: -42.196023 where: bonds (distance) C4'-P energy: -7.632 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -9.829 flat angles P-C4'-P energy: -7.936 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -77.767535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.767535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.767535 (E_RNA) where: Base-Base interactions energy: -31.815 where: short stacking energy: -22.256 Base-Backbone interact. energy: -0.044 local terms energy: -45.908333 where: bonds (distance) C4'-P energy: -14.933 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -9.676 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -74.647165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.647165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.647165 (E_RNA) where: Base-Base interactions energy: -33.315 where: short stacking energy: -20.151 Base-Backbone interact. energy: -0.171 local terms energy: -41.161475 where: bonds (distance) C4'-P energy: -11.238 bonds (distance) P-C4' energy: -12.297 flat angles C4'-P-C4' energy: -11.251 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: 1.007 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: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -196.076714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.076714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.076714 (E_RNA) where: Base-Base interactions energy: -136.895 where: short stacking energy: -58.799 Base-Backbone interact. energy: -1.078 local terms energy: -58.103654 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -15.291 flat angles C4'-P-C4' energy: -15.273 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -12.032 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: 340 Temperature: 0.950000 Total energy: -169.988409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.988409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.988409 (E_RNA) where: Base-Base interactions energy: -103.247 where: short stacking energy: -50.005 Base-Backbone interact. energy: -0.261 local terms energy: -66.480168 where: bonds (distance) C4'-P energy: -14.949 bonds (distance) P-C4' energy: -15.616 flat angles C4'-P-C4' energy: -10.118 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -17.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -163.555237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.555237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.555237 (E_RNA) where: Base-Base interactions energy: -104.819 where: short stacking energy: -48.340 Base-Backbone interact. energy: -0.588 local terms energy: -58.148803 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -10.635 flat angles C4'-P-C4' energy: -9.489 flat angles P-C4'-P energy: -10.975 tors. eta vs tors. theta energy: -13.611 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: 340 Temperature: 1.050000 Total energy: -85.530949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.530949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.530949 (E_RNA) where: Base-Base interactions energy: -38.059 where: short stacking energy: -29.231 Base-Backbone interact. energy: -0.087 local terms energy: -47.385617 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -9.388 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -3.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -150.240604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.240604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.240604 (E_RNA) where: Base-Base interactions energy: -90.880 where: short stacking energy: -51.272 Base-Backbone interact. energy: -0.113 local terms energy: -59.247362 where: bonds (distance) C4'-P energy: -13.576 bonds (distance) P-C4' energy: -10.528 flat angles C4'-P-C4' energy: -13.790 flat angles P-C4'-P energy: -7.706 tors. eta vs tors. theta energy: -13.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -103.995020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.995020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.995020 (E_RNA) where: Base-Base interactions energy: -60.607 where: short stacking energy: -33.575 Base-Backbone interact. energy: -0.011 local terms energy: -43.377333 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -11.929 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -6.703 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: 8 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -97.834954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.834954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.834954 (E_RNA) where: Base-Base interactions energy: -54.018 where: short stacking energy: -26.495 Base-Backbone interact. energy: -0.905 local terms energy: -42.911325 where: bonds (distance) C4'-P energy: -13.725 bonds (distance) P-C4' energy: -10.173 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -70.258530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.258530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.258530 (E_RNA) where: Base-Base interactions energy: -26.355 where: short stacking energy: -20.506 Base-Backbone interact. energy: -0.966 local terms energy: -42.937749 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -12.994 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -10.891 tors. eta vs tors. theta energy: -1.014 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: 6 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -74.878449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.878449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.878449 (E_RNA) where: Base-Base interactions energy: -26.955 where: short stacking energy: -20.268 Base-Backbone interact. energy: -0.245 local terms energy: -47.677730 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -16.330 flat angles C4'-P-C4' energy: -8.835 flat angles P-C4'-P energy: -7.531 tors. eta vs tors. theta energy: -1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -83.396091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.396091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.396091 (E_RNA) where: Base-Base interactions energy: -34.939 where: short stacking energy: -34.939 Base-Backbone interact. energy: -0.043 local terms energy: -48.414254 where: bonds (distance) C4'-P energy: -10.632 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -7.023 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: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -183.977424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.977424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.977424 (E_RNA) where: Base-Base interactions energy: -123.637 where: short stacking energy: -54.171 Base-Backbone interact. energy: -0.117 local terms energy: -60.223651 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -11.185 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -12.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -167.207168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.207168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.207168 (E_RNA) where: Base-Base interactions energy: -100.915 where: short stacking energy: -37.125 Base-Backbone interact. energy: -0.167 local terms energy: -66.125417 where: bonds (distance) C4'-P energy: -13.973 bonds (distance) P-C4' energy: -15.395 flat angles C4'-P-C4' energy: -15.929 flat angles P-C4'-P energy: -11.856 tors. eta vs tors. theta energy: -8.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -176.515462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.515462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.515462 (E_RNA) where: Base-Base interactions energy: -111.297 where: short stacking energy: -51.934 Base-Backbone interact. energy: -0.372 local terms energy: -64.846301 where: bonds (distance) C4'-P energy: -11.033 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -9.631 tors. eta vs tors. theta energy: -17.925 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: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -149.546982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.546982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.546982 (E_RNA) where: Base-Base interactions energy: -94.850 where: short stacking energy: -50.191 Base-Backbone interact. energy: -0.105 local terms energy: -54.592245 where: bonds (distance) C4'-P energy: -7.352 bonds (distance) P-C4' energy: -11.663 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -10.315 tors. eta vs tors. theta energy: -10.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -99.550359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.550359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.550359 (E_RNA) where: Base-Base interactions energy: -47.394 where: short stacking energy: -37.130 Base-Backbone interact. energy: 1.669 local terms energy: -53.825425 where: bonds (distance) C4'-P energy: -12.082 bonds (distance) P-C4' energy: -13.760 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -8.310 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: 6, replica: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -100.081302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.081302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.081302 (E_RNA) where: Base-Base interactions energy: -51.078 where: short stacking energy: -22.191 Base-Backbone interact. energy: -0.333 local terms energy: -48.670457 where: bonds (distance) C4'-P energy: -11.672 bonds (distance) P-C4' energy: -16.365 flat angles C4'-P-C4' energy: -12.611 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -88.205886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.205886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.205886 (E_RNA) where: Base-Base interactions energy: -38.739 where: short stacking energy: -38.739 Base-Backbone interact. energy: 0.576 local terms energy: -50.042330 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -79.728646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.728646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.728646 (E_RNA) where: Base-Base interactions energy: -41.210 where: short stacking energy: -25.736 Base-Backbone interact. energy: -0.140 local terms energy: -38.378370 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -10.678 flat angles C4'-P-C4' energy: -10.401 flat angles P-C4'-P energy: -0.540 tors. eta vs tors. theta energy: -1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -75.858326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.858326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.858326 (E_RNA) where: Base-Base interactions energy: -28.282 where: short stacking energy: -26.070 Base-Backbone interact. energy: -0.541 local terms energy: -47.035296 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -12.746 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -72.622390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.622390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.622390 (E_RNA) where: Base-Base interactions energy: -36.335 where: short stacking energy: -20.669 Base-Backbone interact. energy: -0.100 local terms energy: -36.186842 where: bonds (distance) C4'-P energy: -10.175 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -6.725 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: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -180.029029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.029029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.029029 (E_RNA) where: Base-Base interactions energy: -107.694 where: short stacking energy: -49.491 Base-Backbone interact. energy: -0.471 local terms energy: -71.864301 where: bonds (distance) C4'-P energy: -13.952 bonds (distance) P-C4' energy: -14.803 flat angles C4'-P-C4' energy: -16.725 flat angles P-C4'-P energy: -11.946 tors. eta vs tors. theta energy: -14.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -153.647895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.647895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.647895 (E_RNA) where: Base-Base interactions energy: -94.518 where: short stacking energy: -50.889 Base-Backbone interact. energy: -0.045 local terms energy: -59.084920 where: bonds (distance) C4'-P energy: -10.156 bonds (distance) P-C4' energy: -10.232 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -11.363 tors. eta vs tors. theta energy: -12.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -164.605938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.605938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.605938 (E_RNA) where: Base-Base interactions energy: -98.017 where: short stacking energy: -52.195 Base-Backbone interact. energy: -0.385 local terms energy: -66.203382 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -13.224 flat angles C4'-P-C4' energy: -14.783 flat angles P-C4'-P energy: -7.966 tors. eta vs tors. theta energy: -16.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -161.009561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.009561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.009561 (E_RNA) where: Base-Base interactions energy: -100.698 where: short stacking energy: -50.587 Base-Backbone interact. energy: 0.238 local terms energy: -60.549826 where: bonds (distance) C4'-P energy: -15.653 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -6.721 tors. eta vs tors. theta energy: -12.906 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: 5, replica: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -132.134771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.134771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.134771 (E_RNA) where: Base-Base interactions energy: -72.112 where: short stacking energy: -35.816 Base-Backbone interact. energy: -0.007 local terms energy: -60.015233 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -12.628 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -11.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -91.101119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.101119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.101119 (E_RNA) where: Base-Base interactions energy: -43.968 where: short stacking energy: -38.536 Base-Backbone interact. energy: -0.422 local terms energy: -46.710713 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -15.923 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -6.495 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: 342 Temperature: 1.200000 Total energy: -97.002106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.002106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.002106 (E_RNA) where: Base-Base interactions energy: -45.778 where: short stacking energy: -45.778 Base-Backbone interact. energy: -0.005 local terms energy: -51.219344 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -10.800 flat angles C4'-P-C4' energy: -8.544 flat angles P-C4'-P energy: -5.577 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: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -79.468034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.468034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.468034 (E_RNA) where: Base-Base interactions energy: -28.422 where: short stacking energy: -21.558 Base-Backbone interact. energy: -0.026 local terms energy: -51.019426 where: bonds (distance) C4'-P energy: -16.427 bonds (distance) P-C4' energy: -12.706 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -11.356 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -84.885368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.885368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.885368 (E_RNA) where: Base-Base interactions energy: -35.952 where: short stacking energy: -24.671 Base-Backbone interact. energy: -0.192 local terms energy: -48.741173 where: bonds (distance) C4'-P energy: -11.717 bonds (distance) P-C4' energy: -11.348 flat angles C4'-P-C4' energy: -11.362 flat angles P-C4'-P energy: -8.414 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: 10, replica: 7 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -86.794048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.794048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.794048 (E_RNA) where: Base-Base interactions energy: -38.458 where: short stacking energy: -25.400 Base-Backbone interact. energy: 0.322 local terms energy: -48.657380 where: bonds (distance) C4'-P energy: -11.447 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -5.793 tors. eta vs tors. theta energy: -4.973 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: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -183.032959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.032959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.032959 (E_RNA) where: Base-Base interactions energy: -118.815 where: short stacking energy: -53.041 Base-Backbone interact. energy: -0.287 local terms energy: -63.930520 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -14.675 flat angles C4'-P-C4' energy: -15.263 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -14.414 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: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -169.534189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.534189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.534189 (E_RNA) where: Base-Base interactions energy: -106.089 where: short stacking energy: -49.387 Base-Backbone interact. energy: -0.108 local terms energy: -63.337491 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -11.392 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -14.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -171.772974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.772974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.772974 (E_RNA) where: Base-Base interactions energy: -113.313 where: short stacking energy: -57.465 Base-Backbone interact. energy: -0.117 local terms energy: -58.342834 where: bonds (distance) C4'-P energy: -9.647 bonds (distance) P-C4' energy: -16.333 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -14.104 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: 343 Temperature: 1.050000 Total energy: -146.631565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.631565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.631565 (E_RNA) where: Base-Base interactions energy: -88.265 where: short stacking energy: -45.321 Base-Backbone interact. energy: -0.046 local terms energy: -58.321137 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -15.409 flat angles C4'-P-C4' energy: -10.808 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -11.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -161.851592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.851592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.851592 (E_RNA) where: Base-Base interactions energy: -103.472 where: short stacking energy: -53.077 Base-Backbone interact. energy: -0.021 local terms energy: -58.359036 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -8.509 flat angles C4'-P-C4' energy: -10.442 flat angles P-C4'-P energy: -11.033 tors. eta vs tors. theta energy: -14.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -93.241354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.241354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.241354 (E_RNA) where: Base-Base interactions energy: -42.052 where: short stacking energy: -25.858 Base-Backbone interact. energy: -0.384 local terms energy: -50.805935 where: bonds (distance) C4'-P energy: -14.274 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -14.112 flat angles P-C4'-P energy: -8.155 tors. eta vs tors. theta energy: -0.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -77.246923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.246923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.246923 (E_RNA) where: Base-Base interactions energy: -35.603 where: short stacking energy: -28.496 Base-Backbone interact. energy: -0.657 local terms energy: -40.986965 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -15.656 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -93.842583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.842583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.842583 (E_RNA) where: Base-Base interactions energy: -45.676 where: short stacking energy: -27.629 Base-Backbone interact. energy: -0.723 local terms energy: -47.443791 where: bonds (distance) C4'-P energy: -10.864 bonds (distance) P-C4' energy: -8.844 flat angles C4'-P-C4' energy: -11.799 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -8.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -69.437267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.437267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.437267 (E_RNA) where: Base-Base interactions energy: -33.929 where: short stacking energy: -29.660 Base-Backbone interact. energy: 0.360 local terms energy: -35.868477 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -1.881 flat angles P-C4'-P energy: -8.530 tors. eta vs tors. theta energy: 1.638 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: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -69.899999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.899999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.899999 (E_RNA) where: Base-Base interactions energy: -24.943 where: short stacking energy: -18.837 Base-Backbone interact. energy: -0.125 local terms energy: -44.831169 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -11.833 flat angles C4'-P-C4' energy: -10.167 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -3.647 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: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -178.166264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.166264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.166264 (E_RNA) where: Base-Base interactions energy: -117.058 where: short stacking energy: -49.030 Base-Backbone interact. energy: -0.389 local terms energy: -60.719450 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -11.459 flat angles C4'-P-C4' energy: -13.906 flat angles P-C4'-P energy: -7.087 tors. eta vs tors. theta energy: -14.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -176.978754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.978754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.978754 (E_RNA) where: Base-Base interactions energy: -105.331 where: short stacking energy: -49.611 Base-Backbone interact. energy: -1.288 local terms energy: -70.359584 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -13.658 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -16.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -174.745537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.745537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.745537 (E_RNA) where: Base-Base interactions energy: -108.362 where: short stacking energy: -51.401 Base-Backbone interact. energy: -0.765 local terms energy: -65.618070 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -14.053 flat angles C4'-P-C4' energy: -14.278 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -13.084 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: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -149.463610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.463610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.463610 (E_RNA) where: Base-Base interactions energy: -85.249 where: short stacking energy: -54.625 Base-Backbone interact. energy: -0.469 local terms energy: -63.745820 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -6.574 tors. eta vs tors. theta energy: -15.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -156.632644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.632644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.632644 (E_RNA) where: Base-Base interactions energy: -97.178 where: short stacking energy: -45.185 Base-Backbone interact. energy: -0.783 local terms energy: -58.671134 where: bonds (distance) C4'-P energy: -12.482 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -11.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -128.259038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.259038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.259038 (E_RNA) where: Base-Base interactions energy: -75.911 where: short stacking energy: -41.346 Base-Backbone interact. energy: -0.049 local terms energy: -52.299117 where: bonds (distance) C4'-P energy: -12.416 bonds (distance) P-C4' energy: -11.038 flat angles C4'-P-C4' energy: -13.500 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -10.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -80.756166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.756166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.756166 (E_RNA) where: Base-Base interactions energy: -33.504 where: short stacking energy: -26.485 Base-Backbone interact. energy: -0.126 local terms energy: -47.125810 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -11.055 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -74.823467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.823467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.823467 (E_RNA) where: Base-Base interactions energy: -30.317 where: short stacking energy: -26.957 Base-Backbone interact. energy: -0.160 local terms energy: -44.345926 where: bonds (distance) C4'-P energy: -13.534 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -9.229 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -72.722033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.722033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.722033 (E_RNA) where: Base-Base interactions energy: -32.686 where: short stacking energy: -18.947 Base-Backbone interact. energy: -0.239 local terms energy: -39.797313 where: bonds (distance) C4'-P energy: -11.770 bonds (distance) P-C4' energy: -14.984 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: 2.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -67.526387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.526387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.526387 (E_RNA) where: Base-Base interactions energy: -24.969 where: short stacking energy: -20.008 Base-Backbone interact. energy: 1.078 local terms energy: -43.635386 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -9.393 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -0.763 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: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -172.701357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.701357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.701357 (E_RNA) where: Base-Base interactions energy: -109.244 where: short stacking energy: -54.074 Base-Backbone interact. energy: -0.060 local terms energy: -63.397282 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -15.560 flat angles P-C4'-P energy: -9.215 tors. eta vs tors. theta energy: -11.302 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: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -175.787852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.787852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.787852 (E_RNA) where: Base-Base interactions energy: -102.505 where: short stacking energy: -52.652 Base-Backbone interact. energy: -3.119 local terms energy: -70.163506 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -11.668 tors. eta vs tors. theta energy: -17.585 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: 9 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -166.465600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.465600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.465600 (E_RNA) where: Base-Base interactions energy: -103.030 where: short stacking energy: -48.539 Base-Backbone interact. energy: -0.405 local terms energy: -63.031011 where: bonds (distance) C4'-P energy: -12.760 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -13.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -169.203563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.203563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.203563 (E_RNA) where: Base-Base interactions energy: -115.536 where: short stacking energy: -46.795 Base-Backbone interact. energy: -0.810 local terms energy: -52.856937 where: bonds (distance) C4'-P energy: -10.078 bonds (distance) P-C4' energy: -17.137 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -3.904 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: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -133.648291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.648291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.648291 (E_RNA) where: Base-Base interactions energy: -69.363 where: short stacking energy: -44.651 Base-Backbone interact. energy: -0.057 local terms energy: -64.228711 where: bonds (distance) C4'-P energy: -11.230 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -14.438 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -15.825 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: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -79.641080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.641080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.641080 (E_RNA) where: Base-Base interactions energy: -29.090 where: short stacking energy: -27.440 Base-Backbone interact. energy: -0.726 local terms energy: -49.825542 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -13.028 flat angles P-C4'-P energy: -7.887 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: 7, replica: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -134.407891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.407891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.407891 (E_RNA) where: Base-Base interactions energy: -74.695 where: short stacking energy: -39.132 Base-Backbone interact. energy: -0.109 local terms energy: -59.603399 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -11.101 flat angles P-C4'-P energy: -8.272 tors. eta vs tors. theta energy: -11.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -73.634935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.634935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.634935 (E_RNA) where: Base-Base interactions energy: -27.966 where: short stacking energy: -22.470 Base-Backbone interact. energy: -0.086 local terms energy: -45.583475 where: bonds (distance) C4'-P energy: -10.031 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -9.623 flat angles P-C4'-P energy: -9.567 tors. eta vs tors. theta energy: -2.465 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: 8 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -74.474514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.474514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.474514 (E_RNA) where: Base-Base interactions energy: -32.294 where: short stacking energy: -31.213 Base-Backbone interact. energy: -0.163 local terms energy: -42.018319 where: bonds (distance) C4'-P energy: -8.984 bonds (distance) P-C4' energy: -8.816 flat angles C4'-P-C4' energy: -13.014 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -75.270722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.270722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.270722 (E_RNA) where: Base-Base interactions energy: -24.690 where: short stacking energy: -12.122 Base-Backbone interact. energy: 1.028 local terms energy: -51.608859 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -11.606 flat angles C4'-P-C4' energy: -12.014 flat angles P-C4'-P energy: -7.976 tors. eta vs tors. theta energy: -5.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -183.633523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.633523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.633523 (E_RNA) where: Base-Base interactions energy: -119.154 where: short stacking energy: -50.513 Base-Backbone interact. energy: -1.443 local terms energy: -63.037027 where: bonds (distance) C4'-P energy: -14.461 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -14.603 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -11.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -178.290669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.290669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.290669 (E_RNA) where: Base-Base interactions energy: -117.201 where: short stacking energy: -56.021 Base-Backbone interact. energy: -0.829 local terms energy: -60.260737 where: bonds (distance) C4'-P energy: -15.078 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -14.307 flat angles P-C4'-P energy: -7.596 tors. eta vs tors. theta energy: -13.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -171.711814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.711814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.711814 (E_RNA) where: Base-Base interactions energy: -104.911 where: short stacking energy: -55.423 Base-Backbone interact. energy: -0.041 local terms energy: -66.759400 where: bonds (distance) C4'-P energy: -15.637 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -7.776 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: 4, replica: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -158.142377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.142377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.142377 (E_RNA) where: Base-Base interactions energy: -93.996 where: short stacking energy: -40.723 Base-Backbone interact. energy: -0.013 local terms energy: -64.133374 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -12.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -120.478245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.478245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.478245 (E_RNA) where: Base-Base interactions energy: -65.587 where: short stacking energy: -44.433 Base-Backbone interact. energy: -0.054 local terms energy: -54.837296 where: bonds (distance) C4'-P energy: -11.592 bonds (distance) P-C4' energy: -14.675 flat angles C4'-P-C4' energy: -9.789 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -12.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -89.106428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.106428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.106428 (E_RNA) where: Base-Base interactions energy: -32.995 where: short stacking energy: -30.756 Base-Backbone interact. energy: -0.001 local terms energy: -56.109941 where: bonds (distance) C4'-P energy: -12.223 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -12.088 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -9.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -79.568373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.568373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.568373 (E_RNA) where: Base-Base interactions energy: -23.750 where: short stacking energy: -23.057 Base-Backbone interact. energy: -0.372 local terms energy: -55.446435 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -16.905 flat angles C4'-P-C4' energy: -14.911 flat angles P-C4'-P energy: -8.421 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: 8, replica: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -80.803972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.803972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.803972 (E_RNA) where: Base-Base interactions energy: -30.921 where: short stacking energy: -30.526 Base-Backbone interact. energy: -0.251 local terms energy: -49.632160 where: bonds (distance) C4'-P energy: -11.935 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -15.340 flat angles P-C4'-P energy: -7.128 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: 9, replica: 6 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -77.269402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.269402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.269402 (E_RNA) where: Base-Base interactions energy: -26.026 where: short stacking energy: -25.826 Base-Backbone interact. energy: -0.010 local terms energy: -51.233729 where: bonds (distance) C4'-P energy: -11.767 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -9.471 flat angles P-C4'-P energy: -8.421 tors. eta vs tors. theta energy: -5.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -65.545960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.545960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.545960 (E_RNA) where: Base-Base interactions energy: -24.289 where: short stacking energy: -24.289 Base-Backbone interact. energy: -0.293 local terms energy: -40.964378 where: bonds (distance) C4'-P energy: -4.467 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -12.954 flat angles P-C4'-P energy: -9.934 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -176.913849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.913849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.913849 (E_RNA) where: Base-Base interactions energy: -112.167 where: short stacking energy: -48.485 Base-Backbone interact. energy: -0.137 local terms energy: -64.609536 where: bonds (distance) C4'-P energy: -14.667 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -9.304 tors. eta vs tors. theta energy: -12.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -176.513692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.513692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.513692 (E_RNA) where: Base-Base interactions energy: -115.116 where: short stacking energy: -53.557 Base-Backbone interact. energy: -0.029 local terms energy: -61.368103 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -6.784 tors. eta vs tors. theta energy: -15.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -177.471521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.471521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.471521 (E_RNA) where: Base-Base interactions energy: -115.821 where: short stacking energy: -52.280 Base-Backbone interact. energy: -0.947 local terms energy: -60.703213 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -13.348 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: -15.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -166.652853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.652853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.652853 (E_RNA) where: Base-Base interactions energy: -107.704 where: short stacking energy: -49.937 Base-Backbone interact. energy: -1.061 local terms energy: -57.887607 where: bonds (distance) C4'-P energy: -10.521 bonds (distance) P-C4' energy: -11.885 flat angles C4'-P-C4' energy: -11.021 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -14.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -108.458927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.458927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.458927 (E_RNA) where: Base-Base interactions energy: -51.573 where: short stacking energy: -35.525 Base-Backbone interact. energy: -0.182 local terms energy: -56.704440 where: bonds (distance) C4'-P energy: -12.172 bonds (distance) P-C4' energy: -13.863 flat angles C4'-P-C4' energy: -15.365 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -7.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -84.752792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.752792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.752792 (E_RNA) where: Base-Base interactions energy: -30.431 where: short stacking energy: -30.431 Base-Backbone interact. energy: -0.107 local terms energy: -54.214196 where: bonds (distance) C4'-P energy: -9.163 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -13.723 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -7.027 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: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -73.376284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.376284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.376284 (E_RNA) where: Base-Base interactions energy: -21.991 where: short stacking energy: -21.991 Base-Backbone interact. energy: -0.300 local terms energy: -51.085373 where: bonds (distance) C4'-P energy: -12.134 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -13.872 flat angles P-C4'-P energy: -8.744 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -77.065511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.065511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.065511 (E_RNA) where: Base-Base interactions energy: -28.421 where: short stacking energy: -27.352 Base-Backbone interact. energy: -1.426 local terms energy: -47.218382 where: bonds (distance) C4'-P energy: -9.367 bonds (distance) P-C4' energy: -14.045 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -7.831 tors. eta vs tors. theta energy: -3.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -81.891184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.891184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.891184 (E_RNA) where: Base-Base interactions energy: -33.795 where: short stacking energy: -18.095 Base-Backbone interact. energy: -0.124 local terms energy: -47.972067 where: bonds (distance) C4'-P energy: -12.153 bonds (distance) P-C4' energy: -10.814 flat angles C4'-P-C4' energy: -10.632 flat angles P-C4'-P energy: -12.801 tors. eta vs tors. theta energy: -1.572 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: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -78.116308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.116308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.116308 (E_RNA) where: Base-Base interactions energy: -34.394 where: short stacking energy: -30.713 Base-Backbone interact. energy: -0.137 local terms energy: -43.585649 where: bonds (distance) C4'-P energy: -9.560 bonds (distance) P-C4' energy: -15.975 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -3.680 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: 1 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -175.199700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.199700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.199700 (E_RNA) where: Base-Base interactions energy: -109.359 where: short stacking energy: -54.259 Base-Backbone interact. energy: -0.119 local terms energy: -65.721901 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -10.434 flat angles P-C4'-P energy: -12.460 tors. eta vs tors. theta energy: -16.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -169.946616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.946616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.946616 (E_RNA) where: Base-Base interactions energy: -102.266 where: short stacking energy: -51.356 Base-Backbone interact. energy: -1.355 local terms energy: -66.325669 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -11.063 flat angles P-C4'-P energy: -10.252 tors. eta vs tors. theta energy: -14.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -175.639791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.639791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.639791 (E_RNA) where: Base-Base interactions energy: -115.737 where: short stacking energy: -51.199 Base-Backbone interact. energy: -0.743 local terms energy: -59.159814 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -11.522 flat angles C4'-P-C4' energy: -15.949 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -11.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -168.938800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.938800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.938800 (E_RNA) where: Base-Base interactions energy: -101.036 where: short stacking energy: -50.779 Base-Backbone interact. energy: -0.000 local terms energy: -67.902158 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -9.232 tors. eta vs tors. theta energy: -16.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -97.914722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.914722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.914722 (E_RNA) where: Base-Base interactions energy: -54.015 where: short stacking energy: -44.712 Base-Backbone interact. energy: -0.021 local terms energy: -43.878139 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -6.172 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -7.080 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: 4 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -95.009869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.009869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.009869 (E_RNA) where: Base-Base interactions energy: -46.806 where: short stacking energy: -27.181 Base-Backbone interact. energy: 0.119 local terms energy: -48.323133 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -10.509 flat angles P-C4'-P energy: -7.838 tors. eta vs tors. theta energy: -4.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -97.444337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.444337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.444337 (E_RNA) where: Base-Base interactions energy: -40.838 where: short stacking energy: -39.548 Base-Backbone interact. energy: -0.739 local terms energy: -55.868062 where: bonds (distance) C4'-P energy: -8.728 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -11.498 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -12.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -76.163077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.163077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.163077 (E_RNA) where: Base-Base interactions energy: -23.548 where: short stacking energy: -23.548 Base-Backbone interact. energy: 0.421 local terms energy: -53.036221 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -12.985 flat angles P-C4'-P energy: -9.708 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: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -84.412726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.412726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.412726 (E_RNA) where: Base-Base interactions energy: -40.277 where: short stacking energy: -25.672 Base-Backbone interact. energy: 0.065 local terms energy: -44.200847 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -9.534 flat angles C4'-P-C4' energy: -15.705 flat angles P-C4'-P energy: -6.874 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: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -68.675792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.675792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.675792 (E_RNA) where: Base-Base interactions energy: -28.154 where: short stacking energy: -15.591 Base-Backbone interact. energy: -0.377 local terms energy: -40.144636 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: 1.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -179.384375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.384375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.384375 (E_RNA) where: Base-Base interactions energy: -115.892 where: short stacking energy: -50.903 Base-Backbone interact. energy: 0.300 local terms energy: -63.792938 where: bonds (distance) C4'-P energy: -14.586 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -9.806 tors. eta vs tors. theta energy: -12.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -178.801579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.801579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.801579 (E_RNA) where: Base-Base interactions energy: -113.273 where: short stacking energy: -51.912 Base-Backbone interact. energy: -0.110 local terms energy: -65.418254 where: bonds (distance) C4'-P energy: -13.616 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -11.504 tors. eta vs tors. theta energy: -14.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -169.793432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.793432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.793432 (E_RNA) where: Base-Base interactions energy: -106.789 where: short stacking energy: -60.760 Base-Backbone interact. energy: -0.338 local terms energy: -62.666576 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -10.906 tors. eta vs tors. theta energy: -16.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -134.852287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.852287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.852287 (E_RNA) where: Base-Base interactions energy: -78.117 where: short stacking energy: -47.172 Base-Backbone interact. energy: -0.102 local terms energy: -56.632701 where: bonds (distance) C4'-P energy: -10.606 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -9.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -157.150206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.150206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.150206 (E_RNA) where: Base-Base interactions energy: -99.147 where: short stacking energy: -47.706 Base-Backbone interact. energy: -0.765 local terms energy: -57.238695 where: bonds (distance) C4'-P energy: -15.252 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -10.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -93.387455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.387455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.387455 (E_RNA) where: Base-Base interactions energy: -43.183 where: short stacking energy: -25.590 Base-Backbone interact. energy: -0.005 local terms energy: -50.198730 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -10.920 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -5.459 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: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -92.526002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.526002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.526002 (E_RNA) where: Base-Base interactions energy: -40.988 where: short stacking energy: -34.142 Base-Backbone interact. energy: -0.231 local terms energy: -51.306968 where: bonds (distance) C4'-P energy: -10.565 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -7.447 tors. eta vs tors. theta energy: -7.436 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: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -88.029589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.029589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.029589 (E_RNA) where: Base-Base interactions energy: -36.597 where: short stacking energy: -32.088 Base-Backbone interact. energy: 0.192 local terms energy: -51.623898 where: bonds (distance) C4'-P energy: -11.098 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -5.769 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: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -68.198377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.198377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.198377 (E_RNA) where: Base-Base interactions energy: -18.813 where: short stacking energy: -13.173 Base-Backbone interact. energy: 0.792 local terms energy: -50.177965 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -14.916 flat angles P-C4'-P energy: -10.272 tors. eta vs tors. theta energy: 2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -70.902095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.902095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.902095 (E_RNA) where: Base-Base interactions energy: -33.184 where: short stacking energy: -18.922 Base-Backbone interact. energy: -0.105 local terms energy: -37.613307 where: bonds (distance) C4'-P energy: -11.123 bonds (distance) P-C4' energy: -14.960 flat angles C4'-P-C4' energy: -9.784 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: 1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -184.414980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.414980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.414980 (E_RNA) where: Base-Base interactions energy: -119.292 where: short stacking energy: -59.056 Base-Backbone interact. energy: -0.132 local terms energy: -64.990663 where: bonds (distance) C4'-P energy: -15.235 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -13.984 flat angles P-C4'-P energy: -5.189 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: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -184.547705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.547705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.547705 (E_RNA) where: Base-Base interactions energy: -113.822 where: short stacking energy: -60.407 Base-Backbone interact. energy: -0.283 local terms energy: -70.442929 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -15.293 flat angles P-C4'-P energy: -8.292 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: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -167.860217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.860217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.860217 (E_RNA) where: Base-Base interactions energy: -103.208 where: short stacking energy: -54.729 Base-Backbone interact. energy: -0.650 local terms energy: -64.001611 where: bonds (distance) C4'-P energy: -13.457 bonds (distance) P-C4' energy: -10.276 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -8.483 tors. eta vs tors. theta energy: -17.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -127.003934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.003934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.003934 (E_RNA) where: Base-Base interactions energy: -69.558 where: short stacking energy: -38.714 Base-Backbone interact. energy: -0.228 local terms energy: -57.218381 where: bonds (distance) C4'-P energy: -15.823 bonds (distance) P-C4' energy: -14.076 flat angles C4'-P-C4' energy: -11.976 flat angles P-C4'-P energy: -10.205 tors. eta vs tors. theta energy: -5.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -109.576617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.576617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.576617 (E_RNA) where: Base-Base interactions energy: -59.435 where: short stacking energy: -35.428 Base-Backbone interact. energy: -0.193 local terms energy: -49.949121 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -10.791 flat angles P-C4'-P energy: -6.462 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: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -145.132202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.132202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.132202 (E_RNA) where: Base-Base interactions energy: -89.702 where: short stacking energy: -44.308 Base-Backbone interact. energy: -0.189 local terms energy: -55.241287 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -10.053 flat angles C4'-P-C4' energy: -10.479 flat angles P-C4'-P energy: -10.897 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: 7, replica: 2 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -80.553380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.553380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.553380 (E_RNA) where: Base-Base interactions energy: -25.661 where: short stacking energy: -25.661 Base-Backbone interact. energy: -0.050 local terms energy: -54.842391 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -11.474 flat angles P-C4'-P energy: -9.274 tors. eta vs tors. theta energy: -8.677 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: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -76.869590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.869590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.869590 (E_RNA) where: Base-Base interactions energy: -24.983 where: short stacking energy: -25.065 Base-Backbone interact. energy: -0.020 local terms energy: -51.866948 where: bonds (distance) C4'-P energy: -13.017 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -9.811 flat angles P-C4'-P energy: -8.981 tors. eta vs tors. theta energy: -4.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -83.512183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.512183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.512183 (E_RNA) where: Base-Base interactions energy: -31.721 where: short stacking energy: -23.704 Base-Backbone interact. energy: -0.080 local terms energy: -51.711742 where: bonds (distance) C4'-P energy: -9.072 bonds (distance) P-C4' energy: -15.911 flat angles C4'-P-C4' energy: -10.016 flat angles P-C4'-P energy: -11.325 tors. eta vs tors. theta energy: -5.389 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: 5 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -66.270056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.270056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.270056 (E_RNA) where: Base-Base interactions energy: -27.080 where: short stacking energy: -25.970 Base-Backbone interact. energy: 0.519 local terms energy: -39.708509 where: bonds (distance) C4'-P energy: -11.626 bonds (distance) P-C4' energy: -10.844 flat angles C4'-P-C4' energy: -10.593 flat angles P-C4'-P energy: -1.479 tors. eta vs tors. theta energy: -5.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -180.073965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.073965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.073965 (E_RNA) where: Base-Base interactions energy: -108.306 where: short stacking energy: -44.676 Base-Backbone interact. energy: -0.262 local terms energy: -71.505403 where: bonds (distance) C4'-P energy: -15.315 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -15.745 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -15.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -170.649033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.649033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.649033 (E_RNA) where: Base-Base interactions energy: -104.098 where: short stacking energy: -49.484 Base-Backbone interact. energy: -0.283 local terms energy: -66.268561 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -14.851 flat angles P-C4'-P energy: -11.129 tors. eta vs tors. theta energy: -10.501 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: 1 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -177.374655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.374655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.374655 (E_RNA) where: Base-Base interactions energy: -113.635 where: short stacking energy: -53.358 Base-Backbone interact. energy: -0.001 local terms energy: -63.738496 where: bonds (distance) C4'-P energy: -12.772 bonds (distance) P-C4' energy: -13.157 flat angles C4'-P-C4' energy: -15.076 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -15.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -123.145230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.145230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.145230 (E_RNA) where: Base-Base interactions energy: -72.141 where: short stacking energy: -42.907 Base-Backbone interact. energy: -0.376 local terms energy: -50.627905 where: bonds (distance) C4'-P energy: -11.311 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -10.579 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -109.118875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.118875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.118875 (E_RNA) where: Base-Base interactions energy: -59.987 where: short stacking energy: -28.767 Base-Backbone interact. energy: -0.319 local terms energy: -48.812172 where: bonds (distance) C4'-P energy: -11.447 bonds (distance) P-C4' energy: -16.000 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -2.567 tors. eta vs tors. theta energy: -5.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -134.143696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.143696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.143696 (E_RNA) where: Base-Base interactions energy: -87.519 where: short stacking energy: -33.675 Base-Backbone interact. energy: -0.040 local terms energy: -46.585441 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -11.994 flat angles C4'-P-C4' energy: -11.247 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -6.001 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: 7, replica: 2 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -88.579365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.579365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.579365 (E_RNA) where: Base-Base interactions energy: -37.685 where: short stacking energy: -26.717 Base-Backbone interact. energy: -0.393 local terms energy: -50.501007 where: bonds (distance) C4'-P energy: -15.057 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -12.512 flat angles P-C4'-P energy: -10.568 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: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -94.800753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.800753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.800753 (E_RNA) where: Base-Base interactions energy: -39.116 where: short stacking energy: -24.298 Base-Backbone interact. energy: -0.042 local terms energy: -55.642797 where: bonds (distance) C4'-P energy: -13.294 bonds (distance) P-C4' energy: -14.591 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -11.807 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: 9, replica: 4 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -73.176296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.176296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.176296 (E_RNA) where: Base-Base interactions energy: -29.531 where: short stacking energy: -29.531 Base-Backbone interact. energy: -0.239 local terms energy: -43.406199 where: bonds (distance) C4'-P energy: -7.717 bonds (distance) P-C4' energy: -12.105 flat angles C4'-P-C4' energy: -11.459 flat angles P-C4'-P energy: -10.041 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -84.121910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.121910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.121910 (E_RNA) where: Base-Base interactions energy: -45.806 where: short stacking energy: -28.055 Base-Backbone interact. energy: -0.091 local terms energy: -38.225053 where: bonds (distance) C4'-P energy: -8.831 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -6.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -178.592337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.592337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.592337 (E_RNA) where: Base-Base interactions energy: -123.509 where: short stacking energy: -48.490 Base-Backbone interact. energy: -0.998 local terms energy: -54.084557 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -15.123 flat angles C4'-P-C4' energy: -12.432 flat angles P-C4'-P energy: -0.877 tors. eta vs tors. theta energy: -12.283 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: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -186.377161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.377161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.377161 (E_RNA) where: Base-Base interactions energy: -121.811 where: short stacking energy: -55.779 Base-Backbone interact. energy: -0.720 local terms energy: -63.846400 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -6.800 tors. eta vs tors. theta energy: -17.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -157.495419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.495419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.495419 (E_RNA) where: Base-Base interactions energy: -96.388 where: short stacking energy: -51.498 Base-Backbone interact. energy: -0.004 local terms energy: -61.103682 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -15.991 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -9.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -127.120575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.120575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.120575 (E_RNA) where: Base-Base interactions energy: -76.830 where: short stacking energy: -31.951 Base-Backbone interact. energy: -0.065 local terms energy: -50.225801 where: bonds (distance) C4'-P energy: -11.825 bonds (distance) P-C4' energy: -15.904 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -4.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -135.698090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.698090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.698090 (E_RNA) where: Base-Base interactions energy: -74.169 where: short stacking energy: -35.933 Base-Backbone interact. energy: 0.146 local terms energy: -61.675441 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -8.240 tors. eta vs tors. theta energy: -11.191 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: 6 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -107.979964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.979964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.979964 (E_RNA) where: Base-Base interactions energy: -49.766 where: short stacking energy: -34.641 Base-Backbone interact. energy: -0.253 local terms energy: -57.960744 where: bonds (distance) C4'-P energy: -13.058 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -9.788 tors. eta vs tors. theta energy: -8.155 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: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -83.019134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.019134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.019134 (E_RNA) where: Base-Base interactions energy: -31.812 where: short stacking energy: -19.633 Base-Backbone interact. energy: -0.280 local terms energy: -50.926482 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -6.467 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: 8, replica: 2 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -78.894266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.894266 (E_RNA) where: Base-Base interactions energy: -35.934 where: short stacking energy: -24.238 Base-Backbone interact. energy: 1.474 local terms energy: -44.434436 where: bonds (distance) C4'-P energy: -13.483 bonds (distance) P-C4' energy: -11.059 flat angles C4'-P-C4' energy: -8.820 flat angles P-C4'-P energy: -8.581 tors. eta vs tors. theta energy: -2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -79.597434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.597434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.597434 (E_RNA) where: Base-Base interactions energy: -37.132 where: short stacking energy: -27.928 Base-Backbone interact. energy: -0.037 local terms energy: -42.429069 where: bonds (distance) C4'-P energy: -10.583 bonds (distance) P-C4' energy: -9.250 flat angles C4'-P-C4' energy: -10.410 flat angles P-C4'-P energy: -8.559 tors. eta vs tors. theta energy: -3.626 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: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -66.940633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.940633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.940633 (E_RNA) where: Base-Base interactions energy: -27.942 where: short stacking energy: -19.211 Base-Backbone interact. energy: -0.097 local terms energy: -38.901734 where: bonds (distance) C4'-P energy: -10.644 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -10.856 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -0.867 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: 1, replica: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -181.216338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.216338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.216338 (E_RNA) where: Base-Base interactions energy: -124.894 where: short stacking energy: -46.026 Base-Backbone interact. energy: -1.510 local terms energy: -54.811890 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -8.863 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: -13.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -178.181291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.181291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.181291 (E_RNA) where: Base-Base interactions energy: -119.944 where: short stacking energy: -61.375 Base-Backbone interact. energy: -0.049 local terms energy: -58.187745 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -9.579 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -17.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -172.772416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.772416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.772416 (E_RNA) where: Base-Base interactions energy: -109.146 where: short stacking energy: -57.366 Base-Backbone interact. energy: -0.469 local terms energy: -63.157478 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -9.810 flat angles C4'-P-C4' energy: -13.227 flat angles P-C4'-P energy: -8.404 tors. eta vs tors. theta energy: -19.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -157.092925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.092925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.092925 (E_RNA) where: Base-Base interactions energy: -95.710 where: short stacking energy: -45.523 Base-Backbone interact. energy: -0.854 local terms energy: -60.528639 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -15.281 flat angles C4'-P-C4' energy: -10.291 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -11.901 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: 5, replica: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -115.485441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.485441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.485441 (E_RNA) where: Base-Base interactions energy: -63.318 where: short stacking energy: -35.456 Base-Backbone interact. energy: -0.220 local terms energy: -51.947054 where: bonds (distance) C4'-P energy: -13.546 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -10.180 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -8.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -87.078660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.078660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.078660 (E_RNA) where: Base-Base interactions energy: -34.051 where: short stacking energy: -26.189 Base-Backbone interact. energy: -0.386 local terms energy: -52.641513 where: bonds (distance) C4'-P energy: -14.056 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -10.413 flat angles P-C4'-P energy: -11.066 tors. eta vs tors. theta energy: -1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -86.839178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.839178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.839178 (E_RNA) where: Base-Base interactions energy: -35.313 where: short stacking energy: -35.313 Base-Backbone interact. energy: 0.227 local terms energy: -51.753015 where: bonds (distance) C4'-P energy: -12.586 bonds (distance) P-C4' energy: -13.841 flat angles C4'-P-C4' energy: -11.866 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -7.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -73.344511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.344511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.344511 (E_RNA) where: Base-Base interactions energy: -29.487 where: short stacking energy: -22.669 Base-Backbone interact. energy: -0.277 local terms energy: -43.580379 where: bonds (distance) C4'-P energy: -6.468 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -10.315 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: 9, replica: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -72.609290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.609290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.609290 (E_RNA) where: Base-Base interactions energy: -31.245 where: short stacking energy: -22.155 Base-Backbone interact. energy: 1.266 local terms energy: -42.630319 where: bonds (distance) C4'-P energy: -9.534 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -10.015 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: 10, replica: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -76.981490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.981490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.981490 (E_RNA) where: Base-Base interactions energy: -30.407 where: short stacking energy: -30.407 Base-Backbone interact. energy: 0.930 local terms energy: -47.503796 where: bonds (distance) C4'-P energy: -11.707 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -5.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -176.980489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.980489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.980489 (E_RNA) where: Base-Base interactions energy: -116.944 where: short stacking energy: -53.059 Base-Backbone interact. energy: -0.073 local terms energy: -59.963600 where: bonds (distance) C4'-P energy: -13.223 bonds (distance) P-C4' energy: -16.154 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -13.492 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: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -186.140031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.140031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.140031 (E_RNA) where: Base-Base interactions energy: -128.442 where: short stacking energy: -55.122 Base-Backbone interact. energy: -0.100 local terms energy: -57.597971 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -14.251 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -11.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -147.119242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.119242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.119242 (E_RNA) where: Base-Base interactions energy: -87.135 where: short stacking energy: -50.075 Base-Backbone interact. energy: -0.105 local terms energy: -59.879329 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -12.424 flat angles C4'-P-C4' energy: -14.226 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -11.120 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: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -173.829276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.829276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.829276 (E_RNA) where: Base-Base interactions energy: -106.950 where: short stacking energy: -55.439 Base-Backbone interact. energy: -0.616 local terms energy: -66.262478 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -15.861 flat angles C4'-P-C4' energy: -15.199 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: -14.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -98.313483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.313483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.313483 (E_RNA) where: Base-Base interactions energy: -46.979 where: short stacking energy: -34.783 Base-Backbone interact. energy: -0.510 local terms energy: -50.824689 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -6.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -125.265518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.265518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.265518 (E_RNA) where: Base-Base interactions energy: -75.046 where: short stacking energy: -29.440 Base-Backbone interact. energy: -0.088 local terms energy: -50.131586 where: bonds (distance) C4'-P energy: -10.765 bonds (distance) P-C4' energy: -14.477 flat angles C4'-P-C4' energy: -8.454 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -7.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -82.880351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.880351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.880351 (E_RNA) where: Base-Base interactions energy: -38.887 where: short stacking energy: -35.197 Base-Backbone interact. energy: -0.261 local terms energy: -43.732765 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -10.215 flat angles C4'-P-C4' energy: -11.523 flat angles P-C4'-P energy: -1.061 tors. eta vs tors. theta energy: -8.120 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: 8, replica: 8 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -78.752271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.752271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.752271 (E_RNA) where: Base-Base interactions energy: -31.732 where: short stacking energy: -19.918 Base-Backbone interact. energy: -0.129 local terms energy: -46.891483 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -13.875 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -75.769677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.769677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.769677 (E_RNA) where: Base-Base interactions energy: -28.876 where: short stacking energy: -24.593 Base-Backbone interact. energy: -0.323 local terms energy: -46.570688 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -8.278 tors. eta vs tors. theta energy: 0.857 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: 2 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -63.373268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.373268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.373268 (E_RNA) where: Base-Base interactions energy: -19.308 where: short stacking energy: -19.308 Base-Backbone interact. energy: -0.025 local terms energy: -44.041013 where: bonds (distance) C4'-P energy: -13.901 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -11.963 flat angles P-C4'-P energy: -5.238 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: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -181.695059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.695059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.695059 (E_RNA) where: Base-Base interactions energy: -122.447 where: short stacking energy: -52.616 Base-Backbone interact. energy: -0.228 local terms energy: -59.019837 where: bonds (distance) C4'-P energy: -14.051 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -7.271 tors. eta vs tors. theta energy: -11.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -183.432512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.432512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.432512 (E_RNA) where: Base-Base interactions energy: -119.975 where: short stacking energy: -56.007 Base-Backbone interact. energy: -0.153 local terms energy: -63.304279 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -10.937 tors. eta vs tors. theta energy: -12.309 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: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -152.734143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.734143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.734143 (E_RNA) where: Base-Base interactions energy: -90.406 where: short stacking energy: -53.227 Base-Backbone interact. energy: -0.495 local terms energy: -61.833159 where: bonds (distance) C4'-P energy: -12.809 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -11.383 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -14.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -168.057604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.057604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.057604 (E_RNA) where: Base-Base interactions energy: -110.117 where: short stacking energy: -50.811 Base-Backbone interact. energy: -0.003 local terms energy: -57.937367 where: bonds (distance) C4'-P energy: -8.484 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -14.267 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -13.307 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: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -136.729598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.729598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.729598 (E_RNA) where: Base-Base interactions energy: -74.115 where: short stacking energy: -45.211 Base-Backbone interact. energy: -0.008 local terms energy: -62.606636 where: bonds (distance) C4'-P energy: -16.328 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -13.194 flat angles P-C4'-P energy: -6.695 tors. eta vs tors. theta energy: -12.405 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: 6, replica: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -94.527843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.527843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.527843 (E_RNA) where: Base-Base interactions energy: -40.354 where: short stacking energy: -18.127 Base-Backbone interact. energy: -0.224 local terms energy: -53.949736 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -11.293 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: -5.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -98.167878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.167878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.167878 (E_RNA) where: Base-Base interactions energy: -48.335 where: short stacking energy: -21.699 Base-Backbone interact. energy: -0.430 local terms energy: -49.402482 where: bonds (distance) C4'-P energy: -9.682 bonds (distance) P-C4' energy: -14.068 flat angles C4'-P-C4' energy: -10.962 flat angles P-C4'-P energy: -11.107 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -70.601601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.601601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.601601 (E_RNA) where: Base-Base interactions energy: -28.416 where: short stacking energy: -18.384 Base-Backbone interact. energy: 0.136 local terms energy: -42.321259 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -10.810 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: 1.362 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: 8 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -79.935042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.935042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.935042 (E_RNA) where: Base-Base interactions energy: -46.146 where: short stacking energy: -23.918 Base-Backbone interact. energy: 0.145 local terms energy: -33.933952 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -8.487 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -6.955 tors. eta vs tors. theta energy: 0.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -85.633940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.633940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.633940 (E_RNA) where: Base-Base interactions energy: -47.708 where: short stacking energy: -16.011 Base-Backbone interact. energy: -0.221 local terms energy: -37.704810 where: bonds (distance) C4'-P energy: -14.279 bonds (distance) P-C4' energy: -12.707 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: 0.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -178.486393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.486393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.486393 (E_RNA) where: Base-Base interactions energy: -108.440 where: short stacking energy: -58.241 Base-Backbone interact. energy: -0.574 local terms energy: -69.471458 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -15.546 flat angles C4'-P-C4' energy: -15.511 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -18.835 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: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -185.208358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.208358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.208358 (E_RNA) where: Base-Base interactions energy: -116.681 where: short stacking energy: -65.433 Base-Backbone interact. energy: -0.744 local terms energy: -67.784160 where: bonds (distance) C4'-P energy: -10.765 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -14.854 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -18.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -181.971252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.971252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.971252 (E_RNA) where: Base-Base interactions energy: -114.189 where: short stacking energy: -57.315 Base-Backbone interact. energy: -1.895 local terms energy: -65.887252 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -14.044 flat angles P-C4'-P energy: -6.401 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: 4, replica: 3 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -149.523946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.523946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.523946 (E_RNA) where: Base-Base interactions energy: -91.853 where: short stacking energy: -39.500 Base-Backbone interact. energy: -0.289 local terms energy: -57.381761 where: bonds (distance) C4'-P energy: -12.876 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -9.472 flat angles P-C4'-P energy: -10.642 tors. eta vs tors. theta energy: -9.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -133.433807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.433807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.433807 (E_RNA) where: Base-Base interactions energy: -71.919 where: short stacking energy: -43.226 Base-Backbone interact. energy: -0.718 local terms energy: -60.796834 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -13.034 flat angles C4'-P-C4' energy: -16.610 flat angles P-C4'-P energy: -7.485 tors. eta vs tors. theta energy: -10.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -82.402547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.402547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.402547 (E_RNA) where: Base-Base interactions energy: -30.638 where: short stacking energy: -26.721 Base-Backbone interact. energy: -0.452 local terms energy: -51.312569 where: bonds (distance) C4'-P energy: -12.102 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -9.458 tors. eta vs tors. theta energy: -4.249 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: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -98.086050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.086050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.086050 (E_RNA) where: Base-Base interactions energy: -48.329 where: short stacking energy: -27.230 Base-Backbone interact. energy: -0.621 local terms energy: -49.135733 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -12.227 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -5.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -83.192770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.192770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.192770 (E_RNA) where: Base-Base interactions energy: -33.772 where: short stacking energy: -31.222 Base-Backbone interact. energy: -0.004 local terms energy: -49.416922 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -10.056 flat angles C4'-P-C4' energy: -13.890 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -10.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -68.434334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.434334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.434334 (E_RNA) where: Base-Base interactions energy: -27.912 where: short stacking energy: -20.488 Base-Backbone interact. energy: -0.012 local terms energy: -40.509798 where: bonds (distance) C4'-P energy: -12.188 bonds (distance) P-C4' energy: -10.293 flat angles C4'-P-C4' energy: -11.192 flat angles P-C4'-P energy: -1.902 tors. eta vs tors. theta energy: -4.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -75.111799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.111799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.111799 (E_RNA) where: Base-Base interactions energy: -29.401 where: short stacking energy: -29.401 Base-Backbone interact. energy: -0.024 local terms energy: -45.687208 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -7.890 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -175.613506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.613506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.613506 (E_RNA) where: Base-Base interactions energy: -111.936 where: short stacking energy: -53.387 Base-Backbone interact. energy: -1.056 local terms energy: -62.621287 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -14.954 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -7.164 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: 9 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -173.018466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.018466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.018466 (E_RNA) where: Base-Base interactions energy: -113.831 where: short stacking energy: -47.186 Base-Backbone interact. energy: -0.112 local terms energy: -59.075394 where: bonds (distance) C4'-P energy: -8.731 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -11.556 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: 3, replica: 10 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -169.922336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.922336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.922336 (E_RNA) where: Base-Base interactions energy: -104.449 where: short stacking energy: -51.642 Base-Backbone interact. energy: -0.121 local terms energy: -65.352599 where: bonds (distance) C4'-P energy: -12.710 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -15.612 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -16.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -143.562753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.562753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.562753 (E_RNA) where: Base-Base interactions energy: -85.741 where: short stacking energy: -45.866 Base-Backbone interact. energy: -0.035 local terms energy: -57.786490 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -11.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -150.985143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.985143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.985143 (E_RNA) where: Base-Base interactions energy: -90.875 where: short stacking energy: -49.318 Base-Backbone interact. energy: -0.013 local terms energy: -60.097746 where: bonds (distance) C4'-P energy: -11.140 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -15.061 flat angles P-C4'-P energy: -8.523 tors. eta vs tors. theta energy: -13.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -83.764457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.764457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.764457 (E_RNA) where: Base-Base interactions energy: -43.131 where: short stacking energy: -27.870 Base-Backbone interact. energy: 0.823 local terms energy: -41.456355 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -12.522 flat angles C4'-P-C4' energy: -10.137 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -73.389430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.389430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.389430 (E_RNA) where: Base-Base interactions energy: -31.043 where: short stacking energy: -18.581 Base-Backbone interact. energy: -0.565 local terms energy: -41.781573 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -8.279 tors. eta vs tors. theta energy: 3.111 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: 7 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -90.754410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.754410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.754410 (E_RNA) where: Base-Base interactions energy: -42.725 where: short stacking energy: -34.043 Base-Backbone interact. energy: -0.001 local terms energy: -48.028844 where: bonds (distance) C4'-P energy: -8.106 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: 0.937 tors. eta vs tors. theta energy: -14.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -81.638517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.638517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.638517 (E_RNA) where: Base-Base interactions energy: -36.536 where: short stacking energy: -35.772 Base-Backbone interact. energy: -0.007 local terms energy: -45.095970 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -4.267 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: 10, replica: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -72.151001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.151001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.151001 (E_RNA) where: Base-Base interactions energy: -26.131 where: short stacking energy: -26.047 Base-Backbone interact. energy: -0.050 local terms energy: -45.969153 where: bonds (distance) C4'-P energy: -11.033 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -11.457 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -4.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -184.144791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.144791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.144791 (E_RNA) where: Base-Base interactions energy: -116.275 where: short stacking energy: -44.401 Base-Backbone interact. energy: -0.117 local terms energy: -67.752661 where: bonds (distance) C4'-P energy: -14.615 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -15.925 flat angles P-C4'-P energy: -11.922 tors. eta vs tors. theta energy: -12.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -184.182218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.182218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.182218 (E_RNA) where: Base-Base interactions energy: -119.653 where: short stacking energy: -63.576 Base-Backbone interact. energy: -0.244 local terms energy: -64.285540 where: bonds (distance) C4'-P energy: -12.557 bonds (distance) P-C4' energy: -13.447 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -9.910 tors. eta vs tors. theta energy: -15.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -170.367805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.367805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.367805 (E_RNA) where: Base-Base interactions energy: -107.004 where: short stacking energy: -51.968 Base-Backbone interact. energy: -0.131 local terms energy: -63.233136 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -14.965 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -13.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -148.552589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.552589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.552589 (E_RNA) where: Base-Base interactions energy: -89.070 where: short stacking energy: -51.765 Base-Backbone interact. energy: -0.013 local terms energy: -59.470064 where: bonds (distance) C4'-P energy: -8.496 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -10.863 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: 5, replica: 3 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -164.323100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.323100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.323100 (E_RNA) where: Base-Base interactions energy: -98.484 where: short stacking energy: -52.025 Base-Backbone interact. energy: -0.101 local terms energy: -65.737933 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -12.540 flat angles P-C4'-P energy: -8.533 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: 6, replica: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -94.467053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.467053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.467053 (E_RNA) where: Base-Base interactions energy: -38.574 where: short stacking energy: -38.574 Base-Backbone interact. energy: -0.006 local terms energy: -55.886905 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -10.807 flat angles C4'-P-C4' energy: -13.074 flat angles P-C4'-P energy: -7.484 tors. eta vs tors. theta energy: -12.540 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: 7 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -94.716229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.716229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.716229 (E_RNA) where: Base-Base interactions energy: -51.401 where: short stacking energy: -20.939 Base-Backbone interact. energy: -0.339 local terms energy: -42.976617 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -10.846 flat angles C4'-P-C4' energy: -9.857 flat angles P-C4'-P energy: -7.316 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: 8, replica: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -104.978466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.978466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.978466 (E_RNA) where: Base-Base interactions energy: -55.495 where: short stacking energy: -28.602 Base-Backbone interact. energy: 0.940 local terms energy: -50.424016 where: bonds (distance) C4'-P energy: -14.321 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -12.988 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -1.683 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: 358 Temperature: 1.300000 Total energy: -80.509363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.509363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.509363 (E_RNA) where: Base-Base interactions energy: -38.454 where: short stacking energy: -18.834 Base-Backbone interact. energy: -0.189 local terms energy: -41.865476 where: bonds (distance) C4'-P energy: -10.528 bonds (distance) P-C4' energy: -12.787 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: -3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -67.779935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.779935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.779935 (E_RNA) where: Base-Base interactions energy: -23.575 where: short stacking energy: -21.827 Base-Backbone interact. energy: 1.670 local terms energy: -45.874654 where: bonds (distance) C4'-P energy: -10.417 bonds (distance) P-C4' energy: -16.161 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -6.398 tors. eta vs tors. theta energy: 0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -178.545863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.545863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.545863 (E_RNA) where: Base-Base interactions energy: -120.463 where: short stacking energy: -43.716 Base-Backbone interact. energy: -0.185 local terms energy: -57.897360 where: bonds (distance) C4'-P energy: -12.172 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -11.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -170.852748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.852748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.852748 (E_RNA) where: Base-Base interactions energy: -106.528 where: short stacking energy: -44.844 Base-Backbone interact. energy: -0.172 local terms energy: -64.153603 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -15.604 flat angles C4'-P-C4' energy: -10.845 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -15.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -172.765219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.765219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.765219 (E_RNA) where: Base-Base interactions energy: -114.815 where: short stacking energy: -53.986 Base-Backbone interact. energy: -0.147 local terms energy: -57.802557 where: bonds (distance) C4'-P energy: -11.799 bonds (distance) P-C4' energy: -13.397 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -12.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -173.154168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.154168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.154168 (E_RNA) where: Base-Base interactions energy: -108.634 where: short stacking energy: -56.371 Base-Backbone interact. energy: -0.337 local terms energy: -64.182653 where: bonds (distance) C4'-P energy: -14.457 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -11.418 flat angles P-C4'-P energy: -10.132 tors. eta vs tors. theta energy: -16.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -144.361993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.361993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.361993 (E_RNA) where: Base-Base interactions energy: -88.825 where: short stacking energy: -42.697 Base-Backbone interact. energy: 1.641 local terms energy: -57.177188 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -13.279 flat angles P-C4'-P energy: -8.960 tors. eta vs tors. theta energy: -9.236 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: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -95.259833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.259833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.259833 (E_RNA) where: Base-Base interactions energy: -47.172 where: short stacking energy: -30.167 Base-Backbone interact. energy: 0.537 local terms energy: -48.624953 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -13.794 flat angles C4'-P-C4' energy: -8.823 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -9.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -85.902050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.902050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.902050 (E_RNA) where: Base-Base interactions energy: -40.587 where: short stacking energy: -36.950 Base-Backbone interact. energy: 0.205 local terms energy: -45.519947 where: bonds (distance) C4'-P energy: -11.096 bonds (distance) P-C4' energy: -12.062 flat angles C4'-P-C4' energy: -10.958 flat angles P-C4'-P energy: -8.109 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: 8, replica: 8 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -104.761344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.761344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.761344 (E_RNA) where: Base-Base interactions energy: -58.240 where: short stacking energy: -34.805 Base-Backbone interact. energy: -0.141 local terms energy: -46.380475 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -12.091 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -4.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -86.763847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.763847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.763847 (E_RNA) where: Base-Base interactions energy: -50.014 where: short stacking energy: -27.277 Base-Backbone interact. energy: -0.310 local terms energy: -36.440287 where: bonds (distance) C4'-P energy: -10.391 bonds (distance) P-C4' energy: -10.039 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -2.952 tors. eta vs tors. theta energy: -5.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -67.280515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.280515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.280515 (E_RNA) where: Base-Base interactions energy: -22.183 where: short stacking energy: -21.409 Base-Backbone interact. energy: -0.346 local terms energy: -44.751270 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -8.994 flat angles C4'-P-C4' energy: -11.588 flat angles P-C4'-P energy: -11.068 tors. eta vs tors. theta energy: 0.854 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: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -179.671966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.671966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.671966 (E_RNA) where: Base-Base interactions energy: -109.180 where: short stacking energy: -54.321 Base-Backbone interact. energy: -0.809 local terms energy: -69.683806 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -14.463 flat angles P-C4'-P energy: -12.478 tors. eta vs tors. theta energy: -16.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -172.387143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.387143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.387143 (E_RNA) where: Base-Base interactions energy: -109.745 where: short stacking energy: -47.778 Base-Backbone interact. energy: -1.212 local terms energy: -61.430363 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -14.275 flat angles P-C4'-P energy: -9.110 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -169.869403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.869403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.869403 (E_RNA) where: Base-Base interactions energy: -109.331 where: short stacking energy: -46.119 Base-Backbone interact. energy: -0.888 local terms energy: -59.650831 where: bonds (distance) C4'-P energy: -11.567 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -12.382 flat angles P-C4'-P energy: -11.611 tors. eta vs tors. theta energy: -10.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -163.521130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.521130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.521130 (E_RNA) where: Base-Base interactions energy: -99.153 where: short stacking energy: -52.151 Base-Backbone interact. energy: -0.077 local terms energy: -64.290611 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -13.104 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -13.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -136.807390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.807390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.807390 (E_RNA) where: Base-Base interactions energy: -83.279 where: short stacking energy: -37.172 Base-Backbone interact. energy: -0.049 local terms energy: -53.478721 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -7.067 tors. eta vs tors. theta energy: -10.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -94.364622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.364622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.364622 (E_RNA) where: Base-Base interactions energy: -50.359 where: short stacking energy: -32.217 Base-Backbone interact. energy: -0.259 local terms energy: -43.746647 where: bonds (distance) C4'-P energy: -10.772 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -10.507 flat angles P-C4'-P energy: -4.871 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: 7, replica: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -87.395404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.395404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.395404 (E_RNA) where: Base-Base interactions energy: -40.365 where: short stacking energy: -40.365 Base-Backbone interact. energy: -0.008 local terms energy: -47.022238 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -5.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -82.875521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.875521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.875521 (E_RNA) where: Base-Base interactions energy: -33.760 where: short stacking energy: -33.558 Base-Backbone interact. energy: -0.029 local terms energy: -49.087482 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -4.666 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: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -91.522282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.522282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.522282 (E_RNA) where: Base-Base interactions energy: -36.055 where: short stacking energy: -36.055 Base-Backbone interact. energy: -1.017 local terms energy: -54.450585 where: bonds (distance) C4'-P energy: -12.529 bonds (distance) P-C4' energy: -12.313 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -8.047 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -68.475549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.475549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.475549 (E_RNA) where: Base-Base interactions energy: -20.939 where: short stacking energy: -20.939 Base-Backbone interact. energy: -0.015 local terms energy: -47.520823 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -12.397 flat angles C4'-P-C4' energy: -9.932 flat angles P-C4'-P energy: -11.318 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: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -184.074425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.074425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.074425 (E_RNA) where: Base-Base interactions energy: -114.284 where: short stacking energy: -58.367 Base-Backbone interact. energy: -0.043 local terms energy: -69.747273 where: bonds (distance) C4'-P energy: -11.518 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -15.266 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -18.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -173.881405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.881405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.881405 (E_RNA) where: Base-Base interactions energy: -110.875 where: short stacking energy: -43.884 Base-Backbone interact. energy: -0.321 local terms energy: -62.685597 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -16.034 flat angles P-C4'-P energy: -11.701 tors. eta vs tors. theta energy: -8.542 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: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -171.335708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.335708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.335708 (E_RNA) where: Base-Base interactions energy: -113.486 where: short stacking energy: -49.137 Base-Backbone interact. energy: -0.269 local terms energy: -57.580406 where: bonds (distance) C4'-P energy: -10.797 bonds (distance) P-C4' energy: -14.314 flat angles C4'-P-C4' energy: -12.819 flat angles P-C4'-P energy: -7.802 tors. eta vs tors. theta energy: -11.849 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: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -148.457807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.457807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.457807 (E_RNA) where: Base-Base interactions energy: -90.034 where: short stacking energy: -48.234 Base-Backbone interact. energy: -0.805 local terms energy: -57.618337 where: bonds (distance) C4'-P energy: -11.957 bonds (distance) P-C4' energy: -9.446 flat angles C4'-P-C4' energy: -15.293 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -12.826 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: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -150.203428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.203428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.203428 (E_RNA) where: Base-Base interactions energy: -96.334 where: short stacking energy: -49.393 Base-Backbone interact. energy: -0.028 local terms energy: -53.841286 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -11.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -94.465663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.465663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.465663 (E_RNA) where: Base-Base interactions energy: -43.541 where: short stacking energy: -22.087 Base-Backbone interact. energy: -0.235 local terms energy: -50.690219 where: bonds (distance) C4'-P energy: -12.272 bonds (distance) P-C4' energy: -10.935 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -8.078 tors. eta vs tors. theta energy: -5.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -89.164454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.164454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.164454 (E_RNA) where: Base-Base interactions energy: -34.958 where: short stacking energy: -25.048 Base-Backbone interact. energy: -0.022 local terms energy: -54.184554 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -13.987 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -6.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -75.000956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.000956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.000956 (E_RNA) where: Base-Base interactions energy: -33.457 where: short stacking energy: -27.504 Base-Backbone interact. energy: -0.053 local terms energy: -41.491046 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -7.442 tors. eta vs tors. theta energy: -0.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -80.431745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.431745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.431745 (E_RNA) where: Base-Base interactions energy: -34.813 where: short stacking energy: -34.813 Base-Backbone interact. energy: -0.052 local terms energy: -45.567012 where: bonds (distance) C4'-P energy: -8.483 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -12.200 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -6.471 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: 5 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -73.150421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.150421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.150421 (E_RNA) where: Base-Base interactions energy: -27.392 where: short stacking energy: -27.392 Base-Backbone interact. energy: -0.063 local terms energy: -45.695476 where: bonds (distance) C4'-P energy: -10.516 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -11.899 flat angles P-C4'-P energy: -7.313 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -175.898098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.898098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.898098 (E_RNA) where: Base-Base interactions energy: -120.810 where: short stacking energy: -39.600 Base-Backbone interact. energy: -0.778 local terms energy: -54.309350 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -14.868 flat angles C4'-P-C4' energy: -11.277 flat angles P-C4'-P energy: -8.910 tors. eta vs tors. theta energy: -6.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -180.750234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.750234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.750234 (E_RNA) where: Base-Base interactions energy: -115.933 where: short stacking energy: -61.255 Base-Backbone interact. energy: -0.063 local terms energy: -64.754369 where: bonds (distance) C4'-P energy: -13.058 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -12.969 flat angles P-C4'-P energy: -9.121 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: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -170.471376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.471376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.471376 (E_RNA) where: Base-Base interactions energy: -113.528 where: short stacking energy: -45.309 Base-Backbone interact. energy: -0.560 local terms energy: -56.383052 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -11.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -148.537781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.537781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.537781 (E_RNA) where: Base-Base interactions energy: -88.360 where: short stacking energy: -48.682 Base-Backbone interact. energy: -0.090 local terms energy: -60.088382 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -14.266 flat angles C4'-P-C4' energy: -11.064 flat angles P-C4'-P energy: -7.340 tors. eta vs tors. theta energy: -14.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -156.004515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.004515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.004515 (E_RNA) where: Base-Base interactions energy: -100.319 where: short stacking energy: -48.597 Base-Backbone interact. energy: -0.001 local terms energy: -55.684467 where: bonds (distance) C4'-P energy: -10.561 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -7.910 tors. eta vs tors. theta energy: -11.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -119.818642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.818642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.818642 (E_RNA) where: Base-Base interactions energy: -73.678 where: short stacking energy: -47.610 Base-Backbone interact. energy: -0.538 local terms energy: -45.601884 where: bonds (distance) C4'-P energy: -11.405 bonds (distance) P-C4' energy: -10.541 flat angles C4'-P-C4' energy: -11.502 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -8.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -76.725789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.725789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.725789 (E_RNA) where: Base-Base interactions energy: -34.813 where: short stacking energy: -33.532 Base-Backbone interact. energy: -0.108 local terms energy: -41.804721 where: bonds (distance) C4'-P energy: -4.724 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -5.980 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -77.291859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.291859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.291859 (E_RNA) where: Base-Base interactions energy: -28.631 where: short stacking energy: -28.542 Base-Backbone interact. energy: 0.080 local terms energy: -48.740880 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -9.821 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -75.141007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.141007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.141007 (E_RNA) where: Base-Base interactions energy: -24.996 where: short stacking energy: -24.996 Base-Backbone interact. energy: -0.129 local terms energy: -50.016291 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -14.837 flat angles C4'-P-C4' energy: -11.632 flat angles P-C4'-P energy: -7.669 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -70.786669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.786669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.786669 (E_RNA) where: Base-Base interactions energy: -31.366 where: short stacking energy: -11.922 Base-Backbone interact. energy: -0.309 local terms energy: -39.111856 where: bonds (distance) C4'-P energy: -10.308 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -10.099 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: 2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -169.706437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.706437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.706437 (E_RNA) where: Base-Base interactions energy: -105.499 where: short stacking energy: -51.004 Base-Backbone interact. energy: -0.883 local terms energy: -63.324825 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -13.846 flat angles P-C4'-P energy: -10.830 tors. eta vs tors. theta energy: -12.378 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: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -176.002480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.002480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.002480 (E_RNA) where: Base-Base interactions energy: -112.835 where: short stacking energy: -49.139 Base-Backbone interact. energy: -0.694 local terms energy: -62.473011 where: bonds (distance) C4'-P energy: -15.413 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -13.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -173.688902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.688902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.688902 (E_RNA) where: Base-Base interactions energy: -103.706 where: short stacking energy: -58.573 Base-Backbone interact. energy: -0.810 local terms energy: -69.172786 where: bonds (distance) C4'-P energy: -12.839 bonds (distance) P-C4' energy: -17.620 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -9.289 tors. eta vs tors. theta energy: -14.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -158.389299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.389299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.389299 (E_RNA) where: Base-Base interactions energy: -97.440 where: short stacking energy: -44.685 Base-Backbone interact. energy: -0.630 local terms energy: -60.318495 where: bonds (distance) C4'-P energy: -13.451 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -12.947 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: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -125.099926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.099926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.099926 (E_RNA) where: Base-Base interactions energy: -69.445 where: short stacking energy: -32.496 Base-Backbone interact. energy: -1.061 local terms energy: -54.594679 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -13.060 flat angles P-C4'-P energy: -10.478 tors. eta vs tors. theta energy: -4.403 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: 363 Temperature: 1.150000 Total energy: -89.513827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.513827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.513827 (E_RNA) where: Base-Base interactions energy: -42.319 where: short stacking energy: -36.394 Base-Backbone interact. energy: -0.041 local terms energy: -47.153777 where: bonds (distance) C4'-P energy: -11.278 bonds (distance) P-C4' energy: -11.550 flat angles C4'-P-C4' energy: -10.995 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -7.936 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: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -105.417078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.417078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.417078 (E_RNA) where: Base-Base interactions energy: -60.252 where: short stacking energy: -31.257 Base-Backbone interact. energy: -0.243 local terms energy: -44.922171 where: bonds (distance) C4'-P energy: -8.857 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -10.082 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -76.715456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.715456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.715456 (E_RNA) where: Base-Base interactions energy: -36.925 where: short stacking energy: -28.938 Base-Backbone interact. energy: -0.021 local terms energy: -39.769610 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -8.584 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -83.752730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.752730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.752730 (E_RNA) where: Base-Base interactions energy: -35.707 where: short stacking energy: -35.707 Base-Backbone interact. energy: 0.926 local terms energy: -48.971908 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -9.670 flat angles C4'-P-C4' energy: -11.524 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -5.134 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: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -70.465735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.465735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.465735 (E_RNA) where: Base-Base interactions energy: -23.631 where: short stacking energy: -19.271 Base-Backbone interact. energy: -1.072 local terms energy: -45.762898 where: bonds (distance) C4'-P energy: -7.581 bonds (distance) P-C4' energy: -12.846 flat angles C4'-P-C4' energy: -15.591 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: -3.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -186.319004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.319004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.319004 (E_RNA) where: Base-Base interactions energy: -125.364 where: short stacking energy: -49.494 Base-Backbone interact. energy: -0.713 local terms energy: -60.242031 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -13.413 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -12.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -170.904864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.904864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.904864 (E_RNA) where: Base-Base interactions energy: -102.189 where: short stacking energy: -57.831 Base-Backbone interact. energy: 0.068 local terms energy: -68.784269 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -15.372 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -16.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -168.500813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.500813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.500813 (E_RNA) where: Base-Base interactions energy: -106.142 where: short stacking energy: -54.950 Base-Backbone interact. energy: -0.185 local terms energy: -62.174416 where: bonds (distance) C4'-P energy: -14.267 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -15.655 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: 364 Temperature: 1.050000 Total energy: -152.060827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.060827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.060827 (E_RNA) where: Base-Base interactions energy: -94.753 where: short stacking energy: -52.820 Base-Backbone interact. energy: 0.232 local terms energy: -57.539367 where: bonds (distance) C4'-P energy: -12.580 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -8.133 tors. eta vs tors. theta energy: -10.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -111.863711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.863711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.863711 (E_RNA) where: Base-Base interactions energy: -60.848 where: short stacking energy: -27.312 Base-Backbone interact. energy: 1.246 local terms energy: -52.261950 where: bonds (distance) C4'-P energy: -11.446 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -12.330 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -5.182 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: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -81.385289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.385289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.385289 (E_RNA) where: Base-Base interactions energy: -25.845 where: short stacking energy: -25.845 Base-Backbone interact. energy: -0.005 local terms energy: -55.535336 where: bonds (distance) C4'-P energy: -15.139 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -14.019 flat angles P-C4'-P energy: -9.963 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -93.521972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.521972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.521972 (E_RNA) where: Base-Base interactions energy: -37.475 where: short stacking energy: -30.581 Base-Backbone interact. energy: 1.173 local terms energy: -57.220204 where: bonds (distance) C4'-P energy: -15.607 bonds (distance) P-C4' energy: -12.245 flat angles C4'-P-C4' energy: -11.873 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -8.312 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: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -77.974197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.974197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.974197 (E_RNA) where: Base-Base interactions energy: -40.280 where: short stacking energy: -28.729 Base-Backbone interact. energy: -0.078 local terms energy: -37.616046 where: bonds (distance) C4'-P energy: -5.460 bonds (distance) P-C4' energy: -13.984 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -88.094962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.094962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.094962 (E_RNA) where: Base-Base interactions energy: -33.364 where: short stacking energy: -33.364 Base-Backbone interact. energy: -1.210 local terms energy: -53.521698 where: bonds (distance) C4'-P energy: -14.138 bonds (distance) P-C4' energy: -7.651 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -9.463 tors. eta vs tors. theta energy: -8.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -84.202813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.202813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.202813 (E_RNA) where: Base-Base interactions energy: -30.249 where: short stacking energy: -20.732 Base-Backbone interact. energy: -2.038 local terms energy: -51.915562 where: bonds (distance) C4'-P energy: -10.201 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -10.153 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: 1, replica: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -182.315894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.315894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.315894 (E_RNA) where: Base-Base interactions energy: -124.523 where: short stacking energy: -56.818 Base-Backbone interact. energy: -1.387 local terms energy: -56.405676 where: bonds (distance) C4'-P energy: -11.846 bonds (distance) P-C4' energy: -14.289 flat angles C4'-P-C4' energy: -9.662 flat angles P-C4'-P energy: -6.304 tors. eta vs tors. theta energy: -14.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -171.651768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.651768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.651768 (E_RNA) where: Base-Base interactions energy: -106.773 where: short stacking energy: -55.726 Base-Backbone interact. energy: -0.018 local terms energy: -64.861425 where: bonds (distance) C4'-P energy: -13.599 bonds (distance) P-C4' energy: -14.474 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -175.933712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.933712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.933712 (E_RNA) where: Base-Base interactions energy: -110.156 where: short stacking energy: -50.534 Base-Backbone interact. energy: -0.073 local terms energy: -65.705157 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -14.368 flat angles P-C4'-P energy: -9.581 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: 4, replica: 10 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -152.983155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.983155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.983155 (E_RNA) where: Base-Base interactions energy: -91.681 where: short stacking energy: -47.937 Base-Backbone interact. energy: -0.311 local terms energy: -60.990546 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -13.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -138.326714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.326714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.326714 (E_RNA) where: Base-Base interactions energy: -84.750 where: short stacking energy: -47.899 Base-Backbone interact. energy: -0.082 local terms energy: -53.495275 where: bonds (distance) C4'-P energy: -10.247 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -11.032 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -11.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -94.207140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.207140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.207140 (E_RNA) where: Base-Base interactions energy: -42.977 where: short stacking energy: -26.206 Base-Backbone interact. energy: -0.109 local terms energy: -51.121232 where: bonds (distance) C4'-P energy: -12.822 bonds (distance) P-C4' energy: -11.234 flat angles C4'-P-C4' energy: -10.757 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -5.998 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: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -75.597244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.597244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.597244 (E_RNA) where: Base-Base interactions energy: -24.441 where: short stacking energy: -24.267 Base-Backbone interact. energy: -0.216 local terms energy: -50.939879 where: bonds (distance) C4'-P energy: -16.469 bonds (distance) P-C4' energy: -13.327 flat angles C4'-P-C4' energy: -10.966 flat angles P-C4'-P energy: -7.155 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -82.436169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.436169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.436169 (E_RNA) where: Base-Base interactions energy: -29.361 where: short stacking energy: -27.436 Base-Backbone interact. energy: -0.118 local terms energy: -52.956942 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -10.155 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -11.368 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -80.993964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.993964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.993964 (E_RNA) where: Base-Base interactions energy: -34.717 where: short stacking energy: -27.752 Base-Backbone interact. energy: -0.118 local terms energy: -46.158655 where: bonds (distance) C4'-P energy: -14.685 bonds (distance) P-C4' energy: -5.636 flat angles C4'-P-C4' energy: -12.251 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -8.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -83.201197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.201197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.201197 (E_RNA) where: Base-Base interactions energy: -31.965 where: short stacking energy: -14.248 Base-Backbone interact. energy: -0.061 local terms energy: -51.175484 where: bonds (distance) C4'-P energy: -8.940 bonds (distance) P-C4' energy: -16.246 flat angles C4'-P-C4' energy: -14.897 flat angles P-C4'-P energy: -8.611 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: 1, replica: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -181.675595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.675595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.675595 (E_RNA) where: Base-Base interactions energy: -115.446 where: short stacking energy: -52.562 Base-Backbone interact. energy: -0.753 local terms energy: -65.476494 where: bonds (distance) C4'-P energy: -14.337 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -15.473 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -11.047 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: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -177.737987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.737987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.737987 (E_RNA) where: Base-Base interactions energy: -105.871 where: short stacking energy: -60.723 Base-Backbone interact. energy: 0.066 local terms energy: -71.933151 where: bonds (distance) C4'-P energy: -13.791 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -15.001 flat angles P-C4'-P energy: -12.213 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: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -167.461675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.461675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.461675 (E_RNA) where: Base-Base interactions energy: -103.436 where: short stacking energy: -56.259 Base-Backbone interact. energy: -0.442 local terms energy: -63.584146 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -6.941 tors. eta vs tors. theta energy: -17.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -158.325149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.325149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.325149 (E_RNA) where: Base-Base interactions energy: -91.979 where: short stacking energy: -52.026 Base-Backbone interact. energy: -0.731 local terms energy: -65.615131 where: bonds (distance) C4'-P energy: -15.459 bonds (distance) P-C4' energy: -12.078 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -9.110 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: 5, replica: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -136.368912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.368912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.368912 (E_RNA) where: Base-Base interactions energy: -90.766 where: short stacking energy: -46.949 Base-Backbone interact. energy: -0.256 local terms energy: -45.346432 where: bonds (distance) C4'-P energy: -9.282 bonds (distance) P-C4' energy: -10.921 flat angles C4'-P-C4' energy: -13.393 flat angles P-C4'-P energy: -0.501 tors. eta vs tors. theta energy: -11.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -93.828753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.828753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.828753 (E_RNA) where: Base-Base interactions energy: -42.570 where: short stacking energy: -24.648 Base-Backbone interact. energy: -0.135 local terms energy: -51.124117 where: bonds (distance) C4'-P energy: -10.144 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -11.148 flat angles P-C4'-P energy: -9.833 tors. eta vs tors. theta energy: -4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -91.541762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.541762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.541762 (E_RNA) where: Base-Base interactions energy: -46.625 where: short stacking energy: -46.625 Base-Backbone interact. energy: -0.007 local terms energy: -44.909614 where: bonds (distance) C4'-P energy: -9.971 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -3.042 tors. eta vs tors. theta energy: -7.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -81.856073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.856073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.856073 (E_RNA) where: Base-Base interactions energy: -39.916 where: short stacking energy: -28.205 Base-Backbone interact. energy: 1.950 local terms energy: -43.890472 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -13.810 flat angles C4'-P-C4' energy: -10.527 flat angles P-C4'-P energy: -9.079 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -82.045001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.045001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.045001 (E_RNA) where: Base-Base interactions energy: -32.646 where: short stacking energy: -23.586 Base-Backbone interact. energy: -0.178 local terms energy: -49.221022 where: bonds (distance) C4'-P energy: -13.050 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -9.146 flat angles P-C4'-P energy: -7.721 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -89.690405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.690405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.690405 (E_RNA) where: Base-Base interactions energy: -50.729 where: short stacking energy: -20.604 Base-Backbone interact. energy: -0.252 local terms energy: -38.709698 where: bonds (distance) C4'-P energy: -11.434 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -186.529431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.529431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.529431 (E_RNA) where: Base-Base interactions energy: -131.824 where: short stacking energy: -51.308 Base-Backbone interact. energy: -0.701 local terms energy: -54.004869 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -10.305 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -7.085 tors. eta vs tors. theta energy: -11.033 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: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -175.705589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.705589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.705589 (E_RNA) where: Base-Base interactions energy: -110.462 where: short stacking energy: -60.164 Base-Backbone interact. energy: -1.412 local terms energy: -63.831767 where: bonds (distance) C4'-P energy: -10.301 bonds (distance) P-C4' energy: -12.368 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -19.981 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: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -159.535984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.535984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.535984 (E_RNA) where: Base-Base interactions energy: -99.378 where: short stacking energy: -46.842 Base-Backbone interact. energy: -0.225 local terms energy: -59.933366 where: bonds (distance) C4'-P energy: -10.947 bonds (distance) P-C4' energy: -13.657 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -13.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -164.048597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.048597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.048597 (E_RNA) where: Base-Base interactions energy: -106.678 where: short stacking energy: -54.999 Base-Backbone interact. energy: -0.016 local terms energy: -57.354176 where: bonds (distance) C4'-P energy: -7.574 bonds (distance) P-C4' energy: -11.770 flat angles C4'-P-C4' energy: -15.214 flat angles P-C4'-P energy: -8.726 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: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -127.022588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.022588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.022588 (E_RNA) where: Base-Base interactions energy: -75.728 where: short stacking energy: -43.731 Base-Backbone interact. energy: -0.029 local terms energy: -51.265897 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -11.666 flat angles C4'-P-C4' energy: -8.788 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -12.891 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: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -104.953827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.953827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.953827 (E_RNA) where: Base-Base interactions energy: -55.607 where: short stacking energy: -36.624 Base-Backbone interact. energy: -0.495 local terms energy: -48.852394 where: bonds (distance) C4'-P energy: -12.055 bonds (distance) P-C4' energy: -10.729 flat angles C4'-P-C4' energy: -12.244 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -6.094 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: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -91.698736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.698736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.698736 (E_RNA) where: Base-Base interactions energy: -58.223 where: short stacking energy: -38.110 Base-Backbone interact. energy: -0.199 local terms energy: -33.276283 where: bonds (distance) C4'-P energy: -9.279 bonds (distance) P-C4' energy: -9.509 flat angles C4'-P-C4' energy: -9.731 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -0.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -83.954616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.954616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.954616 (E_RNA) where: Base-Base interactions energy: -36.578 where: short stacking energy: -32.195 Base-Backbone interact. energy: -0.012 local terms energy: -47.364837 where: bonds (distance) C4'-P energy: -9.684 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -10.426 flat angles P-C4'-P energy: -9.535 tors. eta vs tors. theta energy: -4.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -79.169212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.169212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.169212 (E_RNA) where: Base-Base interactions energy: -35.132 where: short stacking energy: -19.038 Base-Backbone interact. energy: 1.023 local terms energy: -45.059548 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -9.881 flat angles P-C4'-P energy: -10.141 tors. eta vs tors. theta energy: 1.687 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: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -83.195602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.195602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.195602 (E_RNA) where: Base-Base interactions energy: -35.038 where: short stacking energy: -25.292 Base-Backbone interact. energy: -0.451 local terms energy: -47.706664 where: bonds (distance) C4'-P energy: -13.150 bonds (distance) P-C4' energy: -11.826 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -7.264 tors. eta vs tors. theta energy: -6.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -186.654115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.654115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.654115 (E_RNA) where: Base-Base interactions energy: -125.728 where: short stacking energy: -51.799 Base-Backbone interact. energy: 0.980 local terms energy: -61.906229 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -11.815 flat angles C4'-P-C4' energy: -14.678 flat angles P-C4'-P energy: -10.536 tors. eta vs tors. theta energy: -12.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -178.611536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.611536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.611536 (E_RNA) where: Base-Base interactions energy: -110.673 where: short stacking energy: -56.510 Base-Backbone interact. energy: -0.055 local terms energy: -67.883717 where: bonds (distance) C4'-P energy: -15.769 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -16.094 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -12.156 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: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -168.308209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.308209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.308209 (E_RNA) where: Base-Base interactions energy: -100.697 where: short stacking energy: -53.196 Base-Backbone interact. energy: -0.038 local terms energy: -67.573042 where: bonds (distance) C4'-P energy: -11.682 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -12.442 flat angles P-C4'-P energy: -12.506 tors. eta vs tors. theta energy: -15.125 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: 4, replica: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -152.490290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.490290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.490290 (E_RNA) where: Base-Base interactions energy: -92.401 where: short stacking energy: -46.809 Base-Backbone interact. energy: -0.003 local terms energy: -60.086299 where: bonds (distance) C4'-P energy: -12.146 bonds (distance) P-C4' energy: -13.707 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -7.947 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: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -135.071676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.071676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.071676 (E_RNA) where: Base-Base interactions energy: -80.690 where: short stacking energy: -37.739 Base-Backbone interact. energy: -0.035 local terms energy: -54.346719 where: bonds (distance) C4'-P energy: -10.542 bonds (distance) P-C4' energy: -11.817 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -11.990 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: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -77.881068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.881068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.881068 (E_RNA) where: Base-Base interactions energy: -31.086 where: short stacking energy: -25.648 Base-Backbone interact. energy: 1.029 local terms energy: -47.824438 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -11.364 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: -6.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -76.992454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.992454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.992454 (E_RNA) where: Base-Base interactions energy: -28.284 where: short stacking energy: -22.666 Base-Backbone interact. energy: -0.172 local terms energy: -48.535981 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -15.596 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -1.529 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: 368 Temperature: 1.250000 Total energy: -82.505056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.505056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.505056 (E_RNA) where: Base-Base interactions energy: -34.700 where: short stacking energy: -21.686 Base-Backbone interact. energy: -0.157 local terms energy: -47.647461 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -12.839 flat angles P-C4'-P energy: -0.861 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -72.150141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.150141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.150141 (E_RNA) where: Base-Base interactions energy: -21.809 where: short stacking energy: -19.639 Base-Backbone interact. energy: -0.244 local terms energy: -50.097282 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -13.456 flat angles P-C4'-P energy: -9.960 tors. eta vs tors. theta energy: -1.449 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: 10, replica: 6 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -71.378499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.378499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.378499 (E_RNA) where: Base-Base interactions energy: -25.747 where: short stacking energy: -27.447 Base-Backbone interact. energy: -0.338 local terms energy: -45.293347 where: bonds (distance) C4'-P energy: -10.632 bonds (distance) P-C4' energy: -10.738 flat angles C4'-P-C4' energy: -12.338 flat angles P-C4'-P energy: -10.157 tors. eta vs tors. theta energy: -1.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -181.873455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.873455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.873455 (E_RNA) where: Base-Base interactions energy: -120.914 where: short stacking energy: -46.650 Base-Backbone interact. energy: -0.127 local terms energy: -60.832324 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -15.483 flat angles P-C4'-P energy: -6.883 tors. eta vs tors. theta energy: -9.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -159.463402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.463402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.463402 (E_RNA) where: Base-Base interactions energy: -95.347 where: short stacking energy: -43.459 Base-Backbone interact. energy: -1.200 local terms energy: -62.917066 where: bonds (distance) C4'-P energy: -11.526 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -9.201 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: 369 Temperature: 1.000000 Total energy: -176.393613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.393613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.393613 (E_RNA) where: Base-Base interactions energy: -106.936 where: short stacking energy: -51.571 Base-Backbone interact. energy: -0.417 local terms energy: -69.041012 where: bonds (distance) C4'-P energy: -15.288 bonds (distance) P-C4' energy: -14.130 flat angles C4'-P-C4' energy: -11.862 flat angles P-C4'-P energy: -9.528 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: 4, replica: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -160.146817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.146817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.146817 (E_RNA) where: Base-Base interactions energy: -102.096 where: short stacking energy: -41.937 Base-Backbone interact. energy: -0.466 local terms energy: -57.584982 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -14.190 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -10.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -125.853713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.853713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.853713 (E_RNA) where: Base-Base interactions energy: -68.168 where: short stacking energy: -34.512 Base-Backbone interact. energy: 1.215 local terms energy: -58.901122 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -14.725 flat angles P-C4'-P energy: -10.666 tors. eta vs tors. theta energy: -8.833 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: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -89.652373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.652373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.652373 (E_RNA) where: Base-Base interactions energy: -37.426 where: short stacking energy: -37.426 Base-Backbone interact. energy: -0.057 local terms energy: -52.169572 where: bonds (distance) C4'-P energy: -9.568 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -8.619 flat angles P-C4'-P energy: -9.758 tors. eta vs tors. theta energy: -9.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -82.422844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.422844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.422844 (E_RNA) where: Base-Base interactions energy: -22.568 where: short stacking energy: -22.568 Base-Backbone interact. energy: -0.100 local terms energy: -59.754512 where: bonds (distance) C4'-P energy: -15.227 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -12.187 flat angles P-C4'-P energy: -10.317 tors. eta vs tors. theta energy: -7.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -82.525683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.525683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.525683 (E_RNA) where: Base-Base interactions energy: -30.293 where: short stacking energy: -26.247 Base-Backbone interact. energy: 0.401 local terms energy: -52.633614 where: bonds (distance) C4'-P energy: -14.586 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -12.814 flat angles P-C4'-P energy: -10.250 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -74.674280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.674280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.674280 (E_RNA) where: Base-Base interactions energy: -27.178 where: short stacking energy: -23.266 Base-Backbone interact. energy: -0.039 local terms energy: -47.456975 where: bonds (distance) C4'-P energy: -14.267 bonds (distance) P-C4' energy: -9.461 flat angles C4'-P-C4' energy: -10.210 flat angles P-C4'-P energy: -6.588 tors. eta vs tors. theta energy: -6.931 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: 6 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -69.686272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.686272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.686272 (E_RNA) where: Base-Base interactions energy: -28.816 where: short stacking energy: -16.754 Base-Backbone interact. energy: -0.137 local terms energy: -40.734016 where: bonds (distance) C4'-P energy: -10.512 bonds (distance) P-C4' energy: -11.962 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -1.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -177.382228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.382228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.382228 (E_RNA) where: Base-Base interactions energy: -114.868 where: short stacking energy: -59.412 Base-Backbone interact. energy: -0.712 local terms energy: -61.802399 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -13.216 flat angles C4'-P-C4' energy: -13.791 flat angles P-C4'-P energy: -7.685 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: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -178.509265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.509265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.509265 (E_RNA) where: Base-Base interactions energy: -107.082 where: short stacking energy: -52.666 Base-Backbone interact. energy: -0.297 local terms energy: -71.130704 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -15.408 flat angles P-C4'-P energy: -10.421 tors. eta vs tors. theta energy: -17.979 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: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -173.544355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.544355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.544355 (E_RNA) where: Base-Base interactions energy: -108.731 where: short stacking energy: -56.994 Base-Backbone interact. energy: -1.566 local terms energy: -63.246743 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -14.572 flat angles P-C4'-P energy: -7.419 tors. eta vs tors. theta energy: -13.147 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: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -162.872112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.872112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.872112 (E_RNA) where: Base-Base interactions energy: -100.017 where: short stacking energy: -51.664 Base-Backbone interact. energy: -0.588 local terms energy: -62.267019 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -13.656 flat angles P-C4'-P energy: -8.827 tors. eta vs tors. theta energy: -15.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -90.948514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.948514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.948514 (E_RNA) where: Base-Base interactions energy: -39.337 where: short stacking energy: -39.337 Base-Backbone interact. energy: -0.118 local terms energy: -51.493486 where: bonds (distance) C4'-P energy: -14.291 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -15.219 flat angles P-C4'-P energy: -7.755 tors. eta vs tors. theta energy: -7.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -88.686096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.686096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.686096 (E_RNA) where: Base-Base interactions energy: -46.371 where: short stacking energy: -22.655 Base-Backbone interact. energy: -0.333 local terms energy: -41.981287 where: bonds (distance) C4'-P energy: -13.579 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -11.955 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: 1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -86.235891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.235891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.235891 (E_RNA) where: Base-Base interactions energy: -33.878 where: short stacking energy: -22.842 Base-Backbone interact. energy: 1.292 local terms energy: -53.649944 where: bonds (distance) C4'-P energy: -10.778 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -11.786 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -86.268248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.268248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.268248 (E_RNA) where: Base-Base interactions energy: -39.732 where: short stacking energy: -25.008 Base-Backbone interact. energy: -0.170 local terms energy: -46.366011 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -12.945 flat angles C4'-P-C4' energy: -10.619 flat angles P-C4'-P energy: -11.230 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -79.493934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.493934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.493934 (E_RNA) where: Base-Base interactions energy: -32.836 where: short stacking energy: -26.418 Base-Backbone interact. energy: -0.283 local terms energy: -46.374768 where: bonds (distance) C4'-P energy: -10.881 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -8.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -72.916250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.916250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.916250 (E_RNA) where: Base-Base interactions energy: -29.758 where: short stacking energy: -24.526 Base-Backbone interact. energy: -0.065 local terms energy: -43.093933 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -11.628 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -6.498 tors. eta vs tors. theta energy: -0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -197.753425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.753425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.753425 (E_RNA) where: Base-Base interactions energy: -135.686 where: short stacking energy: -48.612 Base-Backbone interact. energy: -0.675 local terms energy: -61.391715 where: bonds (distance) C4'-P energy: -14.197 bonds (distance) P-C4' energy: -13.132 flat angles C4'-P-C4' energy: -12.142 flat angles P-C4'-P energy: -7.794 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: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -175.321516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.321516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.321516 (E_RNA) where: Base-Base interactions energy: -109.977 where: short stacking energy: -55.271 Base-Backbone interact. energy: -0.854 local terms energy: -64.489725 where: bonds (distance) C4'-P energy: -13.563 bonds (distance) P-C4' energy: -12.794 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -9.885 tors. eta vs tors. theta energy: -16.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -175.338552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.338552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.338552 (E_RNA) where: Base-Base interactions energy: -111.470 where: short stacking energy: -69.688 Base-Backbone interact. energy: -1.117 local terms energy: -62.751645 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -9.795 flat angles C4'-P-C4' energy: -12.176 flat angles P-C4'-P energy: -8.714 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: 4, replica: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -151.089636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.089636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.089636 (E_RNA) where: Base-Base interactions energy: -98.504 where: short stacking energy: -51.231 Base-Backbone interact. energy: -0.098 local terms energy: -52.487506 where: bonds (distance) C4'-P energy: -10.396 bonds (distance) P-C4' energy: -10.346 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -6.264 tors. eta vs tors. theta energy: -11.823 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: 5, replica: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -125.895748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.895748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.895748 (E_RNA) where: Base-Base interactions energy: -74.434 where: short stacking energy: -50.057 Base-Backbone interact. energy: -0.011 local terms energy: -51.451082 where: bonds (distance) C4'-P energy: -10.263 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -14.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -98.486025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.486025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.486025 (E_RNA) where: Base-Base interactions energy: -42.544 where: short stacking energy: -39.421 Base-Backbone interact. energy: -0.107 local terms energy: -55.834943 where: bonds (distance) C4'-P energy: -15.472 bonds (distance) P-C4' energy: -17.046 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -6.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -90.499229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.499229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.499229 (E_RNA) where: Base-Base interactions energy: -44.369 where: short stacking energy: -26.971 Base-Backbone interact. energy: -0.567 local terms energy: -45.563911 where: bonds (distance) C4'-P energy: -15.082 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -10.784 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -6.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -106.786257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.786257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.786257 (E_RNA) where: Base-Base interactions energy: -51.689 where: short stacking energy: -35.655 Base-Backbone interact. energy: -0.473 local terms energy: -54.623701 where: bonds (distance) C4'-P energy: -9.905 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -7.513 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: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -76.505430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.505430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.505430 (E_RNA) where: Base-Base interactions energy: -40.985 where: short stacking energy: -14.508 Base-Backbone interact. energy: 0.236 local terms energy: -35.756941 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -11.766 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: 0.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -77.886031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.886031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.886031 (E_RNA) where: Base-Base interactions energy: -37.239 where: short stacking energy: -28.348 Base-Backbone interact. energy: -0.061 local terms energy: -40.585817 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -9.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -182.238277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.238277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.238277 (E_RNA) where: Base-Base interactions energy: -112.557 where: short stacking energy: -57.818 Base-Backbone interact. energy: -0.843 local terms energy: -68.837513 where: bonds (distance) C4'-P energy: -15.611 bonds (distance) P-C4' energy: -15.414 flat angles C4'-P-C4' energy: -12.840 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: -18.688 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: 9 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -184.710109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.710109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.710109 (E_RNA) where: Base-Base interactions energy: -126.040 where: short stacking energy: -53.596 Base-Backbone interact. energy: -0.963 local terms energy: -57.707697 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -9.941 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -11.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -164.696038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.696038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.696038 (E_RNA) where: Base-Base interactions energy: -101.648 where: short stacking energy: -43.997 Base-Backbone interact. energy: -0.191 local terms energy: -62.857199 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -16.353 flat angles P-C4'-P energy: -9.344 tors. eta vs tors. theta energy: -11.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -171.602338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.602338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.602338 (E_RNA) where: Base-Base interactions energy: -101.610 where: short stacking energy: -59.599 Base-Backbone interact. energy: -0.608 local terms energy: -69.383916 where: bonds (distance) C4'-P energy: -14.672 bonds (distance) P-C4' energy: -10.052 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -12.037 tors. eta vs tors. theta energy: -18.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -95.711780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.711780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.711780 (E_RNA) where: Base-Base interactions energy: -43.042 where: short stacking energy: -37.556 Base-Backbone interact. energy: -0.010 local terms energy: -52.659569 where: bonds (distance) C4'-P energy: -11.435 bonds (distance) P-C4' energy: -10.231 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -8.142 tors. eta vs tors. theta energy: -8.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -74.470866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.470866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.470866 (E_RNA) where: Base-Base interactions energy: -26.582 where: short stacking energy: -24.378 Base-Backbone interact. energy: -0.180 local terms energy: -47.709389 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -12.678 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -8.510 tors. eta vs tors. theta energy: 0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -90.946753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.946753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.946753 (E_RNA) where: Base-Base interactions energy: -38.367 where: short stacking energy: -24.137 Base-Backbone interact. energy: -0.663 local terms energy: -51.917333 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -12.033 flat angles C4'-P-C4' energy: -10.984 flat angles P-C4'-P energy: -7.347 tors. eta vs tors. theta energy: -6.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -72.118959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.118959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.118959 (E_RNA) where: Base-Base interactions energy: -25.775 where: short stacking energy: -25.450 Base-Backbone interact. energy: -0.024 local terms energy: -46.320030 where: bonds (distance) C4'-P energy: -10.726 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -75.386533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.386533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.386533 (E_RNA) where: Base-Base interactions energy: -37.679 where: short stacking energy: -21.722 Base-Backbone interact. energy: -0.057 local terms energy: -37.650255 where: bonds (distance) C4'-P energy: -11.605 bonds (distance) P-C4' energy: -10.939 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -0.171 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: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -73.081063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.081063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.081063 (E_RNA) where: Base-Base interactions energy: -32.346 where: short stacking energy: -24.970 Base-Backbone interact. energy: -0.048 local terms energy: -40.686325 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -11.389 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -171.471729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.471729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.471729 (E_RNA) where: Base-Base interactions energy: -107.178 where: short stacking energy: -56.691 Base-Backbone interact. energy: -0.086 local terms energy: -64.207541 where: bonds (distance) C4'-P energy: -14.808 bonds (distance) P-C4' energy: -14.299 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -15.863 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: 9 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -187.280875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.280875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.280875 (E_RNA) where: Base-Base interactions energy: -126.024 where: short stacking energy: -43.692 Base-Backbone interact. energy: -0.034 local terms energy: -61.222565 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -15.492 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -11.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -169.425663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.425663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.425663 (E_RNA) where: Base-Base interactions energy: -113.822 where: short stacking energy: -41.716 Base-Backbone interact. energy: -0.823 local terms energy: -54.780783 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -12.402 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -6.425 tors. eta vs tors. theta energy: -7.576 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: 1 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -159.576430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.576430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.576430 (E_RNA) where: Base-Base interactions energy: -102.734 where: short stacking energy: -47.880 Base-Backbone interact. energy: -1.115 local terms energy: -55.726853 where: bonds (distance) C4'-P energy: -8.553 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -10.969 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: 5, replica: 7 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -92.848439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.848439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.848439 (E_RNA) where: Base-Base interactions energy: -37.208 where: short stacking energy: -33.340 Base-Backbone interact. energy: -1.120 local terms energy: -54.520603 where: bonds (distance) C4'-P energy: -11.939 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -14.498 flat angles P-C4'-P energy: -9.867 tors. eta vs tors. theta energy: -4.677 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: 6 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -97.356880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.356880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.356880 (E_RNA) where: Base-Base interactions energy: -40.213 where: short stacking energy: -29.343 Base-Backbone interact. energy: -0.177 local terms energy: -56.966519 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -11.909 flat angles C4'-P-C4' energy: -14.387 flat angles P-C4'-P energy: -8.756 tors. eta vs tors. theta energy: -9.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -88.109035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.109035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.109035 (E_RNA) where: Base-Base interactions energy: -33.365 where: short stacking energy: -32.748 Base-Backbone interact. energy: 0.009 local terms energy: -54.753385 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -10.964 flat angles C4'-P-C4' energy: -9.045 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -10.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -74.680102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.680102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.680102 (E_RNA) where: Base-Base interactions energy: -30.817 where: short stacking energy: -17.172 Base-Backbone interact. energy: -0.914 local terms energy: -42.949596 where: bonds (distance) C4'-P energy: -12.351 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -11.035 flat angles P-C4'-P energy: -5.538 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: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -80.565172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.565172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.565172 (E_RNA) where: Base-Base interactions energy: -27.481 where: short stacking energy: -27.147 Base-Backbone interact. energy: -0.048 local terms energy: -53.036093 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -11.892 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -5.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -70.725669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.725669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.725669 (E_RNA) where: Base-Base interactions energy: -25.808 where: short stacking energy: -13.868 Base-Backbone interact. energy: -0.147 local terms energy: -44.770961 where: bonds (distance) C4'-P energy: -15.272 bonds (distance) P-C4' energy: -12.022 flat angles C4'-P-C4' energy: -13.120 flat angles P-C4'-P energy: -6.225 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: 1, replica: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -177.667552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.667552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.667552 (E_RNA) where: Base-Base interactions energy: -108.695 where: short stacking energy: -47.261 Base-Backbone interact. energy: -0.236 local terms energy: -68.736206 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -17.077 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -12.464 tors. eta vs tors. theta energy: -13.015 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: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -167.341429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.341429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.341429 (E_RNA) where: Base-Base interactions energy: -108.272 where: short stacking energy: -51.371 Base-Backbone interact. energy: -1.201 local terms energy: -57.868408 where: bonds (distance) C4'-P energy: -11.422 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -11.102 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -12.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -178.593651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.593651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.593651 (E_RNA) where: Base-Base interactions energy: -108.484 where: short stacking energy: -53.610 Base-Backbone interact. energy: -0.063 local terms energy: -70.046289 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -15.423 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -17.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -163.785551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.785551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.785551 (E_RNA) where: Base-Base interactions energy: -109.246 where: short stacking energy: -44.774 Base-Backbone interact. energy: -0.020 local terms energy: -54.519651 where: bonds (distance) C4'-P energy: -13.884 bonds (distance) P-C4' energy: -13.048 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -5.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -94.550739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.550739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.550739 (E_RNA) where: Base-Base interactions energy: -49.757 where: short stacking energy: -33.715 Base-Backbone interact. energy: -0.945 local terms energy: -43.849399 where: bonds (distance) C4'-P energy: -9.967 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -11.687 flat angles P-C4'-P energy: -2.903 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: 6, replica: 7 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -86.487016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.487016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.487016 (E_RNA) where: Base-Base interactions energy: -39.773 where: short stacking energy: -35.628 Base-Backbone interact. energy: -0.362 local terms energy: -46.351987 where: bonds (distance) C4'-P energy: -12.561 bonds (distance) P-C4' energy: -10.855 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -86.497968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.497968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.497968 (E_RNA) where: Base-Base interactions energy: -29.108 where: short stacking energy: -29.108 Base-Backbone interact. energy: -0.378 local terms energy: -57.011479 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -10.193 tors. eta vs tors. theta energy: -6.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -84.539892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.539892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.539892 (E_RNA) where: Base-Base interactions energy: -35.647 where: short stacking energy: -31.486 Base-Backbone interact. energy: -0.027 local terms energy: -48.865420 where: bonds (distance) C4'-P energy: -11.149 bonds (distance) P-C4' energy: -12.547 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -6.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -79.608432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.608432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.608432 (E_RNA) where: Base-Base interactions energy: -37.075 where: short stacking energy: -22.674 Base-Backbone interact. energy: 0.162 local terms energy: -42.696105 where: bonds (distance) C4'-P energy: -9.157 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -14.868 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -63.979200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.979200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.979200 (E_RNA) where: Base-Base interactions energy: -22.836 where: short stacking energy: -18.042 Base-Backbone interact. energy: 1.511 local terms energy: -42.653549 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -13.788 flat angles C4'-P-C4' energy: -9.193 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -175.594044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.594044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.594044 (E_RNA) where: Base-Base interactions energy: -113.540 where: short stacking energy: -53.143 Base-Backbone interact. energy: -0.492 local terms energy: -61.561835 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -10.902 flat angles P-C4'-P energy: -9.199 tors. eta vs tors. theta energy: -14.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -174.348602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.348602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.348602 (E_RNA) where: Base-Base interactions energy: -106.431 where: short stacking energy: -59.227 Base-Backbone interact. energy: -0.402 local terms energy: -67.515737 where: bonds (distance) C4'-P energy: -16.105 bonds (distance) P-C4' energy: -13.732 flat angles C4'-P-C4' energy: -9.369 flat angles P-C4'-P energy: -13.347 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: 3, replica: 1 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -176.667411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.667411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.667411 (E_RNA) where: Base-Base interactions energy: -111.594 where: short stacking energy: -42.495 Base-Backbone interact. energy: -1.630 local terms energy: -63.443091 where: bonds (distance) C4'-P energy: -15.091 bonds (distance) P-C4' energy: -10.927 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -11.118 tors. eta vs tors. theta energy: -13.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -132.341135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.341135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.341135 (E_RNA) where: Base-Base interactions energy: -72.901 where: short stacking energy: -40.412 Base-Backbone interact. energy: -0.051 local terms energy: -59.389362 where: bonds (distance) C4'-P energy: -15.596 bonds (distance) P-C4' energy: -10.203 flat angles C4'-P-C4' energy: -10.869 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -13.954 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: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -160.719298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.719298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.719298 (E_RNA) where: Base-Base interactions energy: -106.772 where: short stacking energy: -47.143 Base-Backbone interact. energy: -0.212 local terms energy: -53.735594 where: bonds (distance) C4'-P energy: -13.841 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -15.515 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -7.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -85.654071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.654071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.654071 (E_RNA) where: Base-Base interactions energy: -41.854 where: short stacking energy: -31.241 Base-Backbone interact. energy: 0.005 local terms energy: -43.804640 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -9.148 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -4.032 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: 7, replica: 7 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -86.280680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.280680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.280680 (E_RNA) where: Base-Base interactions energy: -48.123 where: short stacking energy: -33.513 Base-Backbone interact. energy: -0.092 local terms energy: -38.066027 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -6.399 flat angles C4'-P-C4' energy: -13.112 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -1.158 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: 375 Temperature: 1.250000 Total energy: -111.501439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.501439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.501439 (E_RNA) where: Base-Base interactions energy: -64.197 where: short stacking energy: -31.172 Base-Backbone interact. energy: -0.176 local terms energy: -47.128017 where: bonds (distance) C4'-P energy: -12.415 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -2.093 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: 9, replica: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -71.398228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.398228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.398228 (E_RNA) where: Base-Base interactions energy: -25.903 where: short stacking energy: -26.671 Base-Backbone interact. energy: -0.158 local terms energy: -45.337830 where: bonds (distance) C4'-P energy: -12.642 bonds (distance) P-C4' energy: -11.671 flat angles C4'-P-C4' energy: -10.471 flat angles P-C4'-P energy: -11.524 tors. eta vs tors. theta energy: 0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -74.384452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.384452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.384452 (E_RNA) where: Base-Base interactions energy: -25.289 where: short stacking energy: -20.424 Base-Backbone interact. energy: -0.069 local terms energy: -49.026741 where: bonds (distance) C4'-P energy: -14.475 bonds (distance) P-C4' energy: -10.630 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -11.166 tors. eta vs tors. theta energy: -4.965 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: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -177.270445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.270445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.270445 (E_RNA) where: Base-Base interactions energy: -113.748 where: short stacking energy: -50.467 Base-Backbone interact. energy: -0.577 local terms energy: -62.946034 where: bonds (distance) C4'-P energy: -15.152 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -10.920 flat angles P-C4'-P energy: -8.573 tors. eta vs tors. theta energy: -14.223 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: 9 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -177.606560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.606560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.606560 (E_RNA) where: Base-Base interactions energy: -111.658 where: short stacking energy: -51.056 Base-Backbone interact. energy: -0.154 local terms energy: -65.793692 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -12.744 flat angles C4'-P-C4' energy: -14.408 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: -16.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -180.129012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.129012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.129012 (E_RNA) where: Base-Base interactions energy: -120.601 where: short stacking energy: -51.591 Base-Backbone interact. energy: -0.505 local terms energy: -59.022808 where: bonds (distance) C4'-P energy: -14.073 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -4.184 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: 4, replica: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -127.533724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.533724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.533724 (E_RNA) where: Base-Base interactions energy: -71.344 where: short stacking energy: -48.118 Base-Backbone interact. energy: -0.020 local terms energy: -56.170009 where: bonds (distance) C4'-P energy: -15.206 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -10.843 flat angles P-C4'-P energy: -7.612 tors. eta vs tors. theta energy: -9.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -157.443027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.443027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.443027 (E_RNA) where: Base-Base interactions energy: -99.962 where: short stacking energy: -45.633 Base-Backbone interact. energy: -0.442 local terms energy: -57.039029 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -97.734121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.734121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.734121 (E_RNA) where: Base-Base interactions energy: -45.218 where: short stacking energy: -45.165 Base-Backbone interact. energy: -0.003 local terms energy: -52.513141 where: bonds (distance) C4'-P energy: -10.040 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -10.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -129.705180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.705180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.705180 (E_RNA) where: Base-Base interactions energy: -75.852 where: short stacking energy: -22.236 Base-Backbone interact. energy: -0.746 local terms energy: -53.107237 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -86.300776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.300776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.300776 (E_RNA) where: Base-Base interactions energy: -35.609 where: short stacking energy: -34.918 Base-Backbone interact. energy: -0.082 local terms energy: -50.609002 where: bonds (distance) C4'-P energy: -11.450 bonds (distance) P-C4' energy: -11.305 flat angles C4'-P-C4' energy: -13.978 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: -6.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -72.201433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.201433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.201433 (E_RNA) where: Base-Base interactions energy: -22.863 where: short stacking energy: -22.863 Base-Backbone interact. energy: -0.003 local terms energy: -49.335967 where: bonds (distance) C4'-P energy: -7.954 bonds (distance) P-C4' energy: -13.488 flat angles C4'-P-C4' energy: -12.162 flat angles P-C4'-P energy: -9.255 tors. eta vs tors. theta energy: -6.477 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: 376 Temperature: 1.350000 Total energy: -70.175805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.175805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.175805 (E_RNA) where: Base-Base interactions energy: -26.230 where: short stacking energy: -26.230 Base-Backbone interact. energy: -0.111 local terms energy: -43.834871 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -11.965 flat angles C4'-P-C4' energy: -9.873 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -3.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -181.108890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.108890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.108890 (E_RNA) where: Base-Base interactions energy: -115.118 where: short stacking energy: -54.997 Base-Backbone interact. energy: -0.581 local terms energy: -65.409707 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -14.755 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -14.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -184.864000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.864000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.864000 (E_RNA) where: Base-Base interactions energy: -113.198 where: short stacking energy: -59.643 Base-Backbone interact. energy: -0.555 local terms energy: -71.111065 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -14.568 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -20.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -168.733776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.733776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.733776 (E_RNA) where: Base-Base interactions energy: -109.294 where: short stacking energy: -56.503 Base-Backbone interact. energy: -0.074 local terms energy: -59.365124 where: bonds (distance) C4'-P energy: -10.351 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -9.853 tors. eta vs tors. theta energy: -10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -168.974262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.974262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.974262 (E_RNA) where: Base-Base interactions energy: -102.557 where: short stacking energy: -53.967 Base-Backbone interact. energy: -0.613 local terms energy: -65.804073 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -13.347 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -14.456 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: 6 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -118.532255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.532255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.532255 (E_RNA) where: Base-Base interactions energy: -61.336 where: short stacking energy: -36.654 Base-Backbone interact. energy: -0.007 local terms energy: -57.189058 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -7.079 tors. eta vs tors. theta energy: -8.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -143.104445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.104445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.104445 (E_RNA) where: Base-Base interactions energy: -83.289 where: short stacking energy: -35.620 Base-Backbone interact. energy: -1.238 local terms energy: -58.577584 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -13.384 flat angles P-C4'-P energy: -7.694 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: 7, replica: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -82.372980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.372980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.372980 (E_RNA) where: Base-Base interactions energy: -37.440 where: short stacking energy: -33.998 Base-Backbone interact. energy: -0.330 local terms energy: -44.603115 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -11.439 flat angles P-C4'-P energy: -1.125 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: 8, replica: 2 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -93.540261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.540261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.540261 (E_RNA) where: Base-Base interactions energy: -36.973 where: short stacking energy: -36.973 Base-Backbone interact. energy: 0.010 local terms energy: -56.577559 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -12.139 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -12.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -69.801584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.801584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.801584 (E_RNA) where: Base-Base interactions energy: -21.294 where: short stacking energy: -16.658 Base-Backbone interact. energy: -0.930 local terms energy: -47.577998 where: bonds (distance) C4'-P energy: -11.111 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -10.336 flat angles P-C4'-P energy: -9.707 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: 10, replica: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -73.905919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.905919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.905919 (E_RNA) where: Base-Base interactions energy: -26.834 where: short stacking energy: -22.674 Base-Backbone interact. energy: -0.016 local terms energy: -47.056451 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -12.938 flat angles C4'-P-C4' energy: -14.300 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -183.532065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.532065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.532065 (E_RNA) where: Base-Base interactions energy: -118.252 where: short stacking energy: -54.629 Base-Backbone interact. energy: -0.155 local terms energy: -65.125017 where: bonds (distance) C4'-P energy: -15.216 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -10.758 tors. eta vs tors. theta energy: -13.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -179.349749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.349749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.349749 (E_RNA) where: Base-Base interactions energy: -114.908 where: short stacking energy: -58.975 Base-Backbone interact. energy: -0.013 local terms energy: -64.428357 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -14.717 flat angles P-C4'-P energy: -7.475 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: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -164.522984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.522984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.522984 (E_RNA) where: Base-Base interactions energy: -104.654 where: short stacking energy: -52.603 Base-Backbone interact. energy: -0.631 local terms energy: -59.238306 where: bonds (distance) C4'-P energy: -10.451 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -13.222 flat angles P-C4'-P energy: -6.770 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: 4, replica: 9 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -158.775751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.775751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.775751 (E_RNA) where: Base-Base interactions energy: -106.587 where: short stacking energy: -46.130 Base-Backbone interact. energy: -0.664 local terms energy: -51.524253 where: bonds (distance) C4'-P energy: -8.691 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -9.081 flat angles P-C4'-P energy: -12.500 tors. eta vs tors. theta energy: -9.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -152.951169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.951169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.951169 (E_RNA) where: Base-Base interactions energy: -99.721 where: short stacking energy: -41.083 Base-Backbone interact. energy: -1.112 local terms energy: -52.117665 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -14.665 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -9.418 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: 6, replica: 6 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -117.859278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.859278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.859278 (E_RNA) where: Base-Base interactions energy: -60.968 where: short stacking energy: -39.101 Base-Backbone interact. energy: -0.013 local terms energy: -56.878459 where: bonds (distance) C4'-P energy: -13.653 bonds (distance) P-C4' energy: -13.520 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -10.152 tors. eta vs tors. theta energy: -8.153 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: 7, replica: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -93.848137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.848137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.848137 (E_RNA) where: Base-Base interactions energy: -40.037 where: short stacking energy: -40.037 Base-Backbone interact. energy: -0.132 local terms energy: -53.679412 where: bonds (distance) C4'-P energy: -8.158 bonds (distance) P-C4' energy: -10.827 flat angles C4'-P-C4' energy: -13.159 flat angles P-C4'-P energy: -6.231 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: 5 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -78.459837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.459837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.459837 (E_RNA) where: Base-Base interactions energy: -30.192 where: short stacking energy: -25.663 Base-Backbone interact. energy: -0.073 local terms energy: -48.194750 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -13.338 flat angles C4'-P-C4' energy: -11.171 flat angles P-C4'-P energy: -7.567 tors. eta vs tors. theta energy: -3.438 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: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -78.863019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.863019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.863019 (E_RNA) where: Base-Base interactions energy: -32.476 where: short stacking energy: -31.800 Base-Backbone interact. energy: -0.198 local terms energy: -46.189291 where: bonds (distance) C4'-P energy: -11.151 bonds (distance) P-C4' energy: -8.575 flat angles C4'-P-C4' energy: -11.261 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -5.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -63.665827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.665827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.665827 (E_RNA) where: Base-Base interactions energy: -23.403 where: short stacking energy: -22.890 Base-Backbone interact. energy: 1.375 local terms energy: -41.637813 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -6.105 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: 1 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -178.647923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.647923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.647923 (E_RNA) where: Base-Base interactions energy: -112.148 where: short stacking energy: -57.591 Base-Backbone interact. energy: -0.007 local terms energy: -66.493250 where: bonds (distance) C4'-P energy: -12.332 bonds (distance) P-C4' energy: -12.262 flat angles C4'-P-C4' energy: -16.751 flat angles P-C4'-P energy: -8.491 tors. eta vs tors. theta energy: -16.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -174.493496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.493496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.493496 (E_RNA) where: Base-Base interactions energy: -108.832 where: short stacking energy: -52.265 Base-Backbone interact. energy: 0.131 local terms energy: -65.792826 where: bonds (distance) C4'-P energy: -13.274 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -11.787 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: 3, replica: 10 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -172.614906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.614906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.614906 (E_RNA) where: Base-Base interactions energy: -109.704 where: short stacking energy: -56.968 Base-Backbone interact. energy: -0.014 local terms energy: -62.896237 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -14.818 flat angles P-C4'-P energy: -8.203 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: 4, replica: 9 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -160.413073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.413073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.413073 (E_RNA) where: Base-Base interactions energy: -94.828 where: short stacking energy: -44.134 Base-Backbone interact. energy: -0.465 local terms energy: -65.119996 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -11.836 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -14.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -150.795109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.795109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.795109 (E_RNA) where: Base-Base interactions energy: -93.032 where: short stacking energy: -49.137 Base-Backbone interact. energy: -0.335 local terms energy: -57.428258 where: bonds (distance) C4'-P energy: -7.530 bonds (distance) P-C4' energy: -11.893 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -8.585 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: 6, replica: 6 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -105.039797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.039797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.039797 (E_RNA) where: Base-Base interactions energy: -58.844 where: short stacking energy: -29.175 Base-Backbone interact. energy: -0.505 local terms energy: -45.690566 where: bonds (distance) C4'-P energy: -10.334 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -10.922 flat angles P-C4'-P energy: -6.847 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: 7, replica: 2 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -88.213387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.213387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.213387 (E_RNA) where: Base-Base interactions energy: -52.218 where: short stacking energy: -26.127 Base-Backbone interact. energy: -0.117 local terms energy: -35.878454 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -11.742 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: 3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -80.147601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.147601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.147601 (E_RNA) where: Base-Base interactions energy: -30.908 where: short stacking energy: -30.908 Base-Backbone interact. energy: -0.013 local terms energy: -49.226600 where: bonds (distance) C4'-P energy: -10.068 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -10.778 flat angles P-C4'-P energy: -8.356 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -77.078910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.078910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.078910 (E_RNA) where: Base-Base interactions energy: -27.045 where: short stacking energy: -22.490 Base-Backbone interact. energy: -0.402 local terms energy: -49.631964 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -10.236 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -69.147360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.147360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.147360 (E_RNA) where: Base-Base interactions energy: -24.001 where: short stacking energy: -24.001 Base-Backbone interact. energy: -0.141 local terms energy: -45.005037 where: bonds (distance) C4'-P energy: -9.224 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -14.640 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -0.236 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: 1, replica: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -169.783924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.783924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.783924 (E_RNA) where: Base-Base interactions energy: -106.026 where: short stacking energy: -43.692 Base-Backbone interact. energy: -1.266 local terms energy: -62.491799 where: bonds (distance) C4'-P energy: -14.909 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -9.324 tors. eta vs tors. theta energy: -10.250 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: 1 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -180.416963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.416963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.416963 (E_RNA) where: Base-Base interactions energy: -116.945 where: short stacking energy: -59.068 Base-Backbone interact. energy: -0.027 local terms energy: -63.445362 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -9.948 flat angles C4'-P-C4' energy: -14.467 flat angles P-C4'-P energy: -8.290 tors. eta vs tors. theta energy: -16.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -159.744639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.744639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.744639 (E_RNA) where: Base-Base interactions energy: -98.232 where: short stacking energy: -53.788 Base-Backbone interact. energy: -0.127 local terms energy: -61.385723 where: bonds (distance) C4'-P energy: -11.522 bonds (distance) P-C4' energy: -14.523 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -10.715 tors. eta vs tors. theta energy: -13.156 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: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -171.451811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.451811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.451811 (E_RNA) where: Base-Base interactions energy: -105.694 where: short stacking energy: -50.751 Base-Backbone interact. energy: -0.634 local terms energy: -65.124445 where: bonds (distance) C4'-P energy: -13.542 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -9.853 tors. eta vs tors. theta energy: -15.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -144.101514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.101514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.101514 (E_RNA) where: Base-Base interactions energy: -89.027 where: short stacking energy: -50.546 Base-Backbone interact. energy: -0.666 local terms energy: -54.407693 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -14.197 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: -13.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -92.387199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.387199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.387199 (E_RNA) where: Base-Base interactions energy: -36.876 where: short stacking energy: -36.876 Base-Backbone interact. energy: -0.039 local terms energy: -55.472001 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -10.689 flat angles C4'-P-C4' energy: -14.437 flat angles P-C4'-P energy: -8.233 tors. eta vs tors. theta energy: -7.650 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: 5 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -78.439213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.439213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.439213 (E_RNA) where: Base-Base interactions energy: -30.594 where: short stacking energy: -27.129 Base-Backbone interact. energy: -0.055 local terms energy: -47.789838 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -9.360 flat angles C4'-P-C4' energy: -10.274 flat angles P-C4'-P energy: -9.421 tors. eta vs tors. theta energy: -3.661 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: 8, replica: 2 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -92.035921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.035921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.035921 (E_RNA) where: Base-Base interactions energy: -45.193 where: short stacking energy: -29.628 Base-Backbone interact. energy: -0.311 local terms energy: -46.532007 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -11.966 flat angles C4'-P-C4' energy: -9.656 flat angles P-C4'-P energy: -7.858 tors. eta vs tors. theta energy: -5.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -73.733433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.733433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.733433 (E_RNA) where: Base-Base interactions energy: -34.379 where: short stacking energy: -26.231 Base-Backbone interact. energy: -0.257 local terms energy: -39.097330 where: bonds (distance) C4'-P energy: -8.099 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -9.135 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -67.534264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.534264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.534264 (E_RNA) where: Base-Base interactions energy: -19.280 where: short stacking energy: -19.280 Base-Backbone interact. energy: -0.084 local terms energy: -48.169997 where: bonds (distance) C4'-P energy: -10.751 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -14.079 flat angles P-C4'-P energy: -6.882 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: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -172.877506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.877506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.877506 (E_RNA) where: Base-Base interactions energy: -109.129 where: short stacking energy: -53.885 Base-Backbone interact. energy: 0.017 local terms energy: -63.765198 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -14.000 flat angles P-C4'-P energy: -9.702 tors. eta vs tors. theta energy: -14.165 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: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -182.567389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.567389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.567389 (E_RNA) where: Base-Base interactions energy: -116.576 where: short stacking energy: -60.993 Base-Backbone interact. energy: -0.480 local terms energy: -65.511581 where: bonds (distance) C4'-P energy: -13.162 bonds (distance) P-C4' energy: -12.234 flat angles C4'-P-C4' energy: -16.843 flat angles P-C4'-P energy: -6.568 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: 3, replica: 1 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -162.232139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.232139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.232139 (E_RNA) where: Base-Base interactions energy: -97.728 where: short stacking energy: -52.560 Base-Backbone interact. energy: -0.309 local terms energy: -64.194797 where: bonds (distance) C4'-P energy: -12.528 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -12.974 flat angles P-C4'-P energy: -8.782 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: 4, replica: 4 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -130.214944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.214944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.214944 (E_RNA) where: Base-Base interactions energy: -74.970 where: short stacking energy: -38.831 Base-Backbone interact. energy: 0.062 local terms energy: -55.307432 where: bonds (distance) C4'-P energy: -10.839 bonds (distance) P-C4' energy: -12.650 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -9.346 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: 381 Temperature: 1.100000 Total energy: -155.589677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.589677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.589677 (E_RNA) where: Base-Base interactions energy: -90.388 where: short stacking energy: -47.417 Base-Backbone interact. energy: -0.593 local terms energy: -64.608978 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -12.534 flat angles P-C4'-P energy: -10.565 tors. eta vs tors. theta energy: -13.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -81.854980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.854980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.854980 (E_RNA) where: Base-Base interactions energy: -34.711 where: short stacking energy: -34.711 Base-Backbone interact. energy: -0.076 local terms energy: -47.068135 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -13.425 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -8.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -83.270507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.270507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.270507 (E_RNA) where: Base-Base interactions energy: -36.262 where: short stacking energy: -35.657 Base-Backbone interact. energy: -0.080 local terms energy: -46.928118 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -10.989 flat angles C4'-P-C4' energy: -11.682 flat angles P-C4'-P energy: -8.441 tors. eta vs tors. theta energy: -6.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -88.810517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.810517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.810517 (E_RNA) where: Base-Base interactions energy: -39.544 where: short stacking energy: -37.935 Base-Backbone interact. energy: -0.094 local terms energy: -49.172280 where: bonds (distance) C4'-P energy: -8.305 bonds (distance) P-C4' energy: -11.708 flat angles C4'-P-C4' energy: -10.797 flat angles P-C4'-P energy: -7.546 tors. eta vs tors. theta energy: -10.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -74.962387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.962387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.962387 (E_RNA) where: Base-Base interactions energy: -32.331 where: short stacking energy: -20.826 Base-Backbone interact. energy: -0.034 local terms energy: -42.597696 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -13.079 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: -3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -76.372073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.372073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.372073 (E_RNA) where: Base-Base interactions energy: -29.182 where: short stacking energy: -29.059 Base-Backbone interact. energy: 0.149 local terms energy: -47.339530 where: bonds (distance) C4'-P energy: -8.311 bonds (distance) P-C4' energy: -12.301 flat angles C4'-P-C4' energy: -12.840 flat angles P-C4'-P energy: -12.178 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -170.080686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.080686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.080686 (E_RNA) where: Base-Base interactions energy: -99.072 where: short stacking energy: -51.444 Base-Backbone interact. energy: -0.065 local terms energy: -70.944218 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -16.581 flat angles P-C4'-P energy: -11.500 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: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -183.739197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.739197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.739197 (E_RNA) where: Base-Base interactions energy: -110.778 where: short stacking energy: -59.848 Base-Backbone interact. energy: -0.001 local terms energy: -72.959972 where: bonds (distance) C4'-P energy: -13.382 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -15.412 flat angles P-C4'-P energy: -9.357 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: 3, replica: 4 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -138.331805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.331805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.331805 (E_RNA) where: Base-Base interactions energy: -70.144 where: short stacking energy: -42.812 Base-Backbone interact. energy: -0.791 local terms energy: -67.396662 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -15.804 flat angles P-C4'-P energy: -10.422 tors. eta vs tors. theta energy: -12.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -165.476683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.476683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.476683 (E_RNA) where: Base-Base interactions energy: -101.477 where: short stacking energy: -51.822 Base-Backbone interact. energy: -0.796 local terms energy: -63.203529 where: bonds (distance) C4'-P energy: -12.794 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -11.731 flat angles P-C4'-P energy: -8.394 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: 5, replica: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -79.001495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.001495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.001495 (E_RNA) where: Base-Base interactions energy: -26.312 where: short stacking energy: -25.145 Base-Backbone interact. energy: -0.089 local terms energy: -52.600020 where: bonds (distance) C4'-P energy: -6.419 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -9.446 tors. eta vs tors. theta energy: -7.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -161.308312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.308312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.308312 (E_RNA) where: Base-Base interactions energy: -98.437 where: short stacking energy: -49.296 Base-Backbone interact. energy: -0.105 local terms energy: -62.766599 where: bonds (distance) C4'-P energy: -14.669 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -9.515 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: -18.846 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: 7, replica: 7 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -95.276345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.276345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.276345 (E_RNA) where: Base-Base interactions energy: -50.109 where: short stacking energy: -25.242 Base-Backbone interact. energy: -1.117 local terms energy: -44.050667 where: bonds (distance) C4'-P energy: -11.966 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -10.089 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -71.515814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.515814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.515814 (E_RNA) where: Base-Base interactions energy: -20.940 where: short stacking energy: -20.854 Base-Backbone interact. energy: -0.100 local terms energy: -50.475668 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -11.362 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -1.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -84.647179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.647179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.647179 (E_RNA) where: Base-Base interactions energy: -39.906 where: short stacking energy: -12.407 Base-Backbone interact. energy: 1.058 local terms energy: -45.799165 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -10.809 flat angles P-C4'-P energy: -7.406 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: 10, replica: 2 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -76.939009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.939009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.939009 (E_RNA) where: Base-Base interactions energy: -30.758 where: short stacking energy: -30.043 Base-Backbone interact. energy: -0.141 local terms energy: -46.039891 where: bonds (distance) C4'-P energy: -11.041 bonds (distance) P-C4' energy: -7.162 flat angles C4'-P-C4' energy: -14.847 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -168.953447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.953447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.953447 (E_RNA) where: Base-Base interactions energy: -104.412 where: short stacking energy: -56.772 Base-Backbone interact. energy: -0.021 local terms energy: -64.521131 where: bonds (distance) C4'-P energy: -14.593 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -11.917 flat angles P-C4'-P energy: -11.940 tors. eta vs tors. theta energy: -11.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -180.039912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.039912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.039912 (E_RNA) where: Base-Base interactions energy: -117.167 where: short stacking energy: -60.414 Base-Backbone interact. energy: -0.624 local terms energy: -62.248417 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -12.009 flat angles C4'-P-C4' energy: -15.447 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -18.294 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: 3, replica: 4 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -138.691288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.691288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.691288 (E_RNA) where: Base-Base interactions energy: -78.334 where: short stacking energy: -46.474 Base-Backbone interact. energy: -0.217 local terms energy: -60.140270 where: bonds (distance) C4'-P energy: -11.638 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -15.397 flat angles P-C4'-P energy: -7.024 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: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -175.124223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.124223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.124223 (E_RNA) where: Base-Base interactions energy: -104.629 where: short stacking energy: -60.122 Base-Backbone interact. energy: 0.281 local terms energy: -70.776833 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -10.958 flat angles C4'-P-C4' energy: -15.146 flat angles P-C4'-P energy: -12.173 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: 5, replica: 5 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -100.789874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.789874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.789874 (E_RNA) where: Base-Base interactions energy: -47.545 where: short stacking energy: -38.440 Base-Backbone interact. energy: -0.113 local terms energy: -53.131890 where: bonds (distance) C4'-P energy: -14.490 bonds (distance) P-C4' energy: -11.519 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -12.158 tors. eta vs tors. theta energy: -7.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -147.331684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.331684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.331684 (E_RNA) where: Base-Base interactions energy: -90.077 where: short stacking energy: -32.678 Base-Backbone interact. energy: -0.120 local terms energy: -57.134638 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -15.061 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -11.306 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: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -115.394774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.394774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.394774 (E_RNA) where: Base-Base interactions energy: -66.514 where: short stacking energy: -24.779 Base-Backbone interact. energy: -0.171 local terms energy: -48.709943 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -8.041 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: 8, replica: 8 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -68.707430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.707430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.707430 (E_RNA) where: Base-Base interactions energy: -23.396 where: short stacking energy: -23.396 Base-Backbone interact. energy: -0.019 local terms energy: -45.292674 where: bonds (distance) C4'-P energy: -15.065 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -9.035 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -80.780281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.780281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.780281 (E_RNA) where: Base-Base interactions energy: -39.137 where: short stacking energy: -24.119 Base-Backbone interact. energy: -1.927 local terms energy: -39.716366 where: bonds (distance) C4'-P energy: -11.000 bonds (distance) P-C4' energy: -9.781 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -70.260009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.260009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.260009 (E_RNA) where: Base-Base interactions energy: -20.743 where: short stacking energy: -20.743 Base-Backbone interact. energy: -0.075 local terms energy: -49.441845 where: bonds (distance) C4'-P energy: -12.130 bonds (distance) P-C4' energy: -12.396 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -4.268 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: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -184.900372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.900372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.900372 (E_RNA) where: Base-Base interactions energy: -115.200 where: short stacking energy: -61.072 Base-Backbone interact. energy: -0.002 local terms energy: -69.699268 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -11.819 tors. eta vs tors. theta energy: -18.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -174.168937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.168937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.168937 (E_RNA) where: Base-Base interactions energy: -108.368 where: short stacking energy: -52.762 Base-Backbone interact. energy: -0.003 local terms energy: -65.798253 where: bonds (distance) C4'-P energy: -11.327 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -15.205 flat angles P-C4'-P energy: -9.692 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: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -169.526949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.526949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.526949 (E_RNA) where: Base-Base interactions energy: -106.972 where: short stacking energy: -45.969 Base-Backbone interact. energy: -0.089 local terms energy: -62.466137 where: bonds (distance) C4'-P energy: -14.452 bonds (distance) P-C4' energy: -13.080 flat angles C4'-P-C4' energy: -14.328 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -14.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -136.009848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.009848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.009848 (E_RNA) where: Base-Base interactions energy: -86.397 where: short stacking energy: -45.291 Base-Backbone interact. energy: -0.519 local terms energy: -49.093800 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -10.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -153.765048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.765048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.765048 (E_RNA) where: Base-Base interactions energy: -94.757 where: short stacking energy: -42.284 Base-Backbone interact. energy: 0.642 local terms energy: -59.649632 where: bonds (distance) C4'-P energy: -14.860 bonds (distance) P-C4' energy: -8.623 flat angles C4'-P-C4' energy: -15.193 flat angles P-C4'-P energy: -10.235 tors. eta vs tors. theta energy: -10.739 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: 384 Temperature: 1.150000 Total energy: -98.521569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.521569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.521569 (E_RNA) where: Base-Base interactions energy: -39.897 where: short stacking energy: -34.251 Base-Backbone interact. energy: 0.569 local terms energy: -59.193823 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -14.156 flat angles P-C4'-P energy: -10.452 tors. eta vs tors. theta energy: -7.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -77.687795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.687795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.687795 (E_RNA) where: Base-Base interactions energy: -32.327 where: short stacking energy: -28.494 Base-Backbone interact. energy: -0.107 local terms energy: -45.253721 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -9.286 flat angles C4'-P-C4' energy: -10.487 flat angles P-C4'-P energy: -9.258 tors. eta vs tors. theta energy: -2.295 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: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -81.638526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.638526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.638526 (E_RNA) where: Base-Base interactions energy: -36.155 where: short stacking energy: -36.115 Base-Backbone interact. energy: -0.179 local terms energy: -45.304578 where: bonds (distance) C4'-P energy: -7.303 bonds (distance) P-C4' energy: -12.236 flat angles C4'-P-C4' energy: -13.723 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -2.823 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: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -86.145522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.145522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.145522 (E_RNA) where: Base-Base interactions energy: -43.285 where: short stacking energy: -40.412 Base-Backbone interact. energy: -0.001 local terms energy: -42.859366 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -8.294 flat angles C4'-P-C4' energy: -9.903 flat angles P-C4'-P energy: -7.537 tors. eta vs tors. theta energy: -9.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -63.867756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.867756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.867756 (E_RNA) where: Base-Base interactions energy: -22.566 where: short stacking energy: -11.190 Base-Backbone interact. energy: -0.238 local terms energy: -41.063297 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -15.106 flat angles C4'-P-C4' energy: -11.018 flat angles P-C4'-P energy: -4.556 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: 1, replica: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -182.371335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.371335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.371335 (E_RNA) where: Base-Base interactions energy: -110.950 where: short stacking energy: -64.843 Base-Backbone interact. energy: -0.593 local terms energy: -70.827883 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -15.208 flat angles P-C4'-P energy: -9.412 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: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -185.249110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.249110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.249110 (E_RNA) where: Base-Base interactions energy: -118.319 where: short stacking energy: -62.814 Base-Backbone interact. energy: 0.591 local terms energy: -67.521257 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -15.794 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -17.061 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: 9 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -166.645377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.645377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.645377 (E_RNA) where: Base-Base interactions energy: -101.295 where: short stacking energy: -48.014 Base-Backbone interact. energy: -0.664 local terms energy: -64.686729 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -13.000 flat angles P-C4'-P energy: -9.623 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: 4, replica: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -161.306744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.306744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.306744 (E_RNA) where: Base-Base interactions energy: -92.551 where: short stacking energy: -48.621 Base-Backbone interact. energy: 0.350 local terms energy: -69.105541 where: bonds (distance) C4'-P energy: -11.009 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -15.124 flat angles P-C4'-P energy: -11.248 tors. eta vs tors. theta energy: -16.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -139.017849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.017849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.017849 (E_RNA) where: Base-Base interactions energy: -90.840 where: short stacking energy: -45.378 Base-Backbone interact. energy: -0.033 local terms energy: -48.145112 where: bonds (distance) C4'-P energy: -9.919 bonds (distance) P-C4' energy: -10.369 flat angles C4'-P-C4' energy: -8.644 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -9.856 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: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -85.497719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.497719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.497719 (E_RNA) where: Base-Base interactions energy: -32.552 where: short stacking energy: -32.552 Base-Backbone interact. energy: 1.614 local terms energy: -54.559707 where: bonds (distance) C4'-P energy: -7.974 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -13.797 flat angles P-C4'-P energy: -9.302 tors. eta vs tors. theta energy: -7.880 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: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -101.987159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.987159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.987159 (E_RNA) where: Base-Base interactions energy: -48.993 where: short stacking energy: -31.105 Base-Backbone interact. energy: -0.259 local terms energy: -52.734911 where: bonds (distance) C4'-P energy: -11.531 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -11.836 flat angles P-C4'-P energy: -9.633 tors. eta vs tors. theta energy: -5.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -82.725010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.725010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.725010 (E_RNA) where: Base-Base interactions energy: -34.010 where: short stacking energy: -16.966 Base-Backbone interact. energy: -0.468 local terms energy: -48.246539 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -8.003 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -83.356745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.356745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.356745 (E_RNA) where: Base-Base interactions energy: -29.839 where: short stacking energy: -29.839 Base-Backbone interact. energy: -0.144 local terms energy: -53.374580 where: bonds (distance) C4'-P energy: -12.972 bonds (distance) P-C4' energy: -12.632 flat angles C4'-P-C4' energy: -13.030 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -5.406 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: 10, replica: 6 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -75.757687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.757687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.757687 (E_RNA) where: Base-Base interactions energy: -33.943 where: short stacking energy: -33.384 Base-Backbone interact. energy: -0.330 local terms energy: -41.484871 where: bonds (distance) C4'-P energy: -8.159 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -6.612 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: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -197.130619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.130619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.130619 (E_RNA) where: Base-Base interactions energy: -125.833 where: short stacking energy: -68.392 Base-Backbone interact. energy: -0.426 local terms energy: -70.872007 where: bonds (distance) C4'-P energy: -13.877 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -16.690 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -18.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -173.965605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.965605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.965605 (E_RNA) where: Base-Base interactions energy: -110.645 where: short stacking energy: -55.606 Base-Backbone interact. energy: -0.136 local terms energy: -63.185124 where: bonds (distance) C4'-P energy: -9.706 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -13.880 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -20.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -168.401390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.401390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.401390 (E_RNA) where: Base-Base interactions energy: -101.596 where: short stacking energy: -55.576 Base-Backbone interact. energy: -0.000 local terms energy: -66.804672 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -12.713 tors. eta vs tors. theta energy: -15.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -165.695428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.695428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.695428 (E_RNA) where: Base-Base interactions energy: -112.052 where: short stacking energy: -43.528 Base-Backbone interact. energy: -0.398 local terms energy: -53.244802 where: bonds (distance) C4'-P energy: -9.689 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -8.233 tors. eta vs tors. theta energy: -12.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -139.803107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.803107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.803107 (E_RNA) where: Base-Base interactions energy: -87.536 where: short stacking energy: -44.649 Base-Backbone interact. energy: -0.355 local terms energy: -51.911791 where: bonds (distance) C4'-P energy: -10.110 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -14.219 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -6.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -91.988243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.988243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.988243 (E_RNA) where: Base-Base interactions energy: -36.912 where: short stacking energy: -36.912 Base-Backbone interact. energy: -0.060 local terms energy: -55.016017 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -10.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -81.897623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.897623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.897623 (E_RNA) where: Base-Base interactions energy: -44.471 where: short stacking energy: -29.463 Base-Backbone interact. energy: 0.150 local terms energy: -37.577148 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -8.795 flat angles C4'-P-C4' energy: -11.593 flat angles P-C4'-P energy: -8.097 tors. eta vs tors. theta energy: 5.079 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: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -72.653004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.653004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.653004 (E_RNA) where: Base-Base interactions energy: -22.820 where: short stacking energy: -22.820 Base-Backbone interact. energy: -0.096 local terms energy: -49.737074 where: bonds (distance) C4'-P energy: -11.211 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -5.456 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: 9, replica: 6 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -74.199289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.199289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.199289 (E_RNA) where: Base-Base interactions energy: -23.263 where: short stacking energy: -16.730 Base-Backbone interact. energy: -0.105 local terms energy: -50.830988 where: bonds (distance) C4'-P energy: -13.102 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -14.897 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: 0.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -69.116459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.116459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.116459 (E_RNA) where: Base-Base interactions energy: -28.618 where: short stacking energy: -25.144 Base-Backbone interact. energy: -0.551 local terms energy: -39.947419 where: bonds (distance) C4'-P energy: -9.489 bonds (distance) P-C4' energy: -8.934 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -7.580 tors. eta vs tors. theta energy: -0.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -184.113085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.113085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.113085 (E_RNA) where: Base-Base interactions energy: -117.283 where: short stacking energy: -62.260 Base-Backbone interact. energy: -0.323 local terms energy: -66.507431 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -13.216 flat angles C4'-P-C4' energy: -12.538 flat angles P-C4'-P energy: -8.942 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: 2, replica: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -183.714757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.714757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.714757 (E_RNA) where: Base-Base interactions energy: -118.570 where: short stacking energy: -48.495 Base-Backbone interact. energy: -1.692 local terms energy: -63.451965 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -8.997 tors. eta vs tors. theta energy: -14.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -171.668185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.668185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.668185 (E_RNA) where: Base-Base interactions energy: -103.949 where: short stacking energy: -50.753 Base-Backbone interact. energy: -0.052 local terms energy: -67.667324 where: bonds (distance) C4'-P energy: -15.314 bonds (distance) P-C4' energy: -11.178 flat angles C4'-P-C4' energy: -15.463 flat angles P-C4'-P energy: -10.562 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: 4, replica: 10 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -167.792771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.792771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.792771 (E_RNA) where: Base-Base interactions energy: -105.504 where: short stacking energy: -47.894 Base-Backbone interact. energy: -0.001 local terms energy: -62.286960 where: bonds (distance) C4'-P energy: -13.405 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -11.539 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -16.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -144.883961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.883961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.883961 (E_RNA) where: Base-Base interactions energy: -88.979 where: short stacking energy: -39.918 Base-Backbone interact. energy: -0.198 local terms energy: -55.706859 where: bonds (distance) C4'-P energy: -12.958 bonds (distance) P-C4' energy: -17.137 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -6.962 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: 8 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -92.275480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.275480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.275480 (E_RNA) where: Base-Base interactions energy: -34.724 where: short stacking energy: -34.724 Base-Backbone interact. energy: -0.246 local terms energy: -57.305483 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -14.479 flat angles C4'-P-C4' energy: -12.644 flat angles P-C4'-P energy: -8.024 tors. eta vs tors. theta energy: -7.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -99.162045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.162045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.162045 (E_RNA) where: Base-Base interactions energy: -55.018 where: short stacking energy: -33.373 Base-Backbone interact. energy: -0.020 local terms energy: -44.124644 where: bonds (distance) C4'-P energy: -4.770 bonds (distance) P-C4' energy: -10.578 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -5.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -67.872579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.872579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.872579 (E_RNA) where: Base-Base interactions energy: -26.667 where: short stacking energy: -22.306 Base-Backbone interact. energy: 1.952 local terms energy: -43.157418 where: bonds (distance) C4'-P energy: -11.630 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -71.423562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.423562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.423562 (E_RNA) where: Base-Base interactions energy: -20.524 where: short stacking energy: -19.663 Base-Backbone interact. energy: -0.044 local terms energy: -50.855516 where: bonds (distance) C4'-P energy: -13.533 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -13.064 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -6.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -67.048323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.048323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.048323 (E_RNA) where: Base-Base interactions energy: -18.447 where: short stacking energy: -10.780 Base-Backbone interact. energy: -0.543 local terms energy: -48.058153 where: bonds (distance) C4'-P energy: -15.839 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -8.835 flat angles P-C4'-P energy: -9.456 tors. eta vs tors. theta energy: 0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -188.463744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.463744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.463744 (E_RNA) where: Base-Base interactions energy: -120.714 where: short stacking energy: -56.137 Base-Backbone interact. energy: -0.146 local terms energy: -67.603781 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -15.297 flat angles P-C4'-P energy: -7.521 tors. eta vs tors. theta energy: -15.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -184.657855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.657855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.657855 (E_RNA) where: Base-Base interactions energy: -121.401 where: short stacking energy: -57.502 Base-Backbone interact. energy: -0.289 local terms energy: -62.967522 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -13.132 flat angles C4'-P-C4' energy: -15.054 flat angles P-C4'-P energy: -8.309 tors. eta vs tors. theta energy: -14.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -168.579290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.579290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.579290 (E_RNA) where: Base-Base interactions energy: -105.709 where: short stacking energy: -54.345 Base-Backbone interact. energy: -0.526 local terms energy: -62.344257 where: bonds (distance) C4'-P energy: -15.224 bonds (distance) P-C4' energy: -10.814 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -13.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -166.999754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.999754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.999754 (E_RNA) where: Base-Base interactions energy: -103.477 where: short stacking energy: -61.784 Base-Backbone interact. energy: -1.350 local terms energy: -62.172822 where: bonds (distance) C4'-P energy: -12.370 bonds (distance) P-C4' energy: -9.599 flat angles C4'-P-C4' energy: -14.623 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -18.793 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: 5, replica: 4 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -148.994072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.994072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.994072 (E_RNA) where: Base-Base interactions energy: -88.316 where: short stacking energy: -40.773 Base-Backbone interact. energy: -0.005 local terms energy: -60.673007 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -10.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -108.076046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.076046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.076046 (E_RNA) where: Base-Base interactions energy: -53.258 where: short stacking energy: -30.143 Base-Backbone interact. energy: -0.659 local terms energy: -54.158338 where: bonds (distance) C4'-P energy: -11.642 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -11.829 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -8.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -83.069267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.069267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.069267 (E_RNA) where: Base-Base interactions energy: -33.539 where: short stacking energy: -33.539 Base-Backbone interact. energy: -0.503 local terms energy: -49.027439 where: bonds (distance) C4'-P energy: -14.449 bonds (distance) P-C4' energy: -10.204 flat angles C4'-P-C4' energy: -12.003 flat angles P-C4'-P energy: -8.439 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -73.865193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.865193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.865193 (E_RNA) where: Base-Base interactions energy: -27.919 where: short stacking energy: -26.097 Base-Backbone interact. energy: -0.110 local terms energy: -45.836659 where: bonds (distance) C4'-P energy: -10.346 bonds (distance) P-C4' energy: -10.729 flat angles C4'-P-C4' energy: -9.522 flat angles P-C4'-P energy: -3.648 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: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -80.430827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.430827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.430827 (E_RNA) where: Base-Base interactions energy: -30.213 where: short stacking energy: -27.463 Base-Backbone interact. energy: -0.260 local terms energy: -49.957560 where: bonds (distance) C4'-P energy: -9.890 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -12.466 flat angles P-C4'-P energy: -8.785 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -74.506420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.506420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.506420 (E_RNA) where: Base-Base interactions energy: -34.371 where: short stacking energy: -34.371 Base-Backbone interact. energy: 0.677 local terms energy: -40.812452 where: bonds (distance) C4'-P energy: -11.782 bonds (distance) P-C4' energy: -11.479 flat angles C4'-P-C4' energy: -12.527 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: 2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -183.025996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.025996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.025996 (E_RNA) where: Base-Base interactions energy: -116.121 where: short stacking energy: -56.494 Base-Backbone interact. energy: -0.003 local terms energy: -66.902592 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -14.546 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -16.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -181.619488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.619488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.619488 (E_RNA) where: Base-Base interactions energy: -120.505 where: short stacking energy: -49.346 Base-Backbone interact. energy: -1.002 local terms energy: -60.112183 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -13.119 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -8.805 tors. eta vs tors. theta energy: -12.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -181.255176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.255176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.255176 (E_RNA) where: Base-Base interactions energy: -116.482 where: short stacking energy: -51.837 Base-Backbone interact. energy: -1.159 local terms energy: -63.613390 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -13.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -174.972519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.972519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.972519 (E_RNA) where: Base-Base interactions energy: -109.990 where: short stacking energy: -59.598 Base-Backbone interact. energy: -0.249 local terms energy: -64.733092 where: bonds (distance) C4'-P energy: -8.860 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -14.737 flat angles P-C4'-P energy: -8.799 tors. eta vs tors. theta energy: -17.086 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: 389 Temperature: 1.100000 Total energy: -150.841943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.841943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.841943 (E_RNA) where: Base-Base interactions energy: -89.558 where: short stacking energy: -39.999 Base-Backbone interact. energy: -0.063 local terms energy: -61.220621 where: bonds (distance) C4'-P energy: -11.354 bonds (distance) P-C4' energy: -16.107 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -7.465 tors. eta vs tors. theta energy: -12.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -91.977600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.977600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.977600 (E_RNA) where: Base-Base interactions energy: -43.387 where: short stacking energy: -43.387 Base-Backbone interact. energy: -0.104 local terms energy: -48.486275 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -10.517 flat angles C4'-P-C4' energy: -12.335 flat angles P-C4'-P energy: -6.621 tors. eta vs tors. theta energy: -8.737 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: 8 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -72.322519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.322519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.322519 (E_RNA) where: Base-Base interactions energy: -27.826 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.213 local terms energy: -44.283428 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -10.002 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -84.074908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.074908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.074908 (E_RNA) where: Base-Base interactions energy: -32.159 where: short stacking energy: -32.159 Base-Backbone interact. energy: -0.183 local terms energy: -51.733219 where: bonds (distance) C4'-P energy: -15.335 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -9.867 flat angles P-C4'-P energy: -7.538 tors. eta vs tors. theta energy: -3.956 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: 9, replica: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -86.426011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.426011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.426011 (E_RNA) where: Base-Base interactions energy: -44.316 where: short stacking energy: -24.643 Base-Backbone interact. energy: -0.328 local terms energy: -41.781452 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -10.482 flat angles C4'-P-C4' energy: -9.465 flat angles P-C4'-P energy: -11.174 tors. eta vs tors. theta energy: 1.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -70.328160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.328160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.328160 (E_RNA) where: Base-Base interactions energy: -27.599 where: short stacking energy: -22.352 Base-Backbone interact. energy: -0.286 local terms energy: -42.443821 where: bonds (distance) C4'-P energy: -10.652 bonds (distance) P-C4' energy: -14.123 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -11.308 tors. eta vs tors. theta energy: 0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -183.279710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.279710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.279710 (E_RNA) where: Base-Base interactions energy: -116.384 where: short stacking energy: -52.095 Base-Backbone interact. energy: -0.127 local terms energy: -66.769247 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -16.531 flat angles P-C4'-P energy: -11.841 tors. eta vs tors. theta energy: -13.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -187.536313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.536313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.536313 (E_RNA) where: Base-Base interactions energy: -114.776 where: short stacking energy: -56.249 Base-Backbone interact. energy: -0.150 local terms energy: -72.610455 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -15.339 flat angles P-C4'-P energy: -10.276 tors. eta vs tors. theta energy: -17.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -173.964081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.964081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.964081 (E_RNA) where: Base-Base interactions energy: -111.300 where: short stacking energy: -56.964 Base-Backbone interact. energy: 0.116 local terms energy: -62.780248 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -11.118 flat angles C4'-P-C4' energy: -14.037 flat angles P-C4'-P energy: -6.076 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: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -172.411975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.411975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.411975 (E_RNA) where: Base-Base interactions energy: -104.706 where: short stacking energy: -48.098 Base-Backbone interact. energy: -0.321 local terms energy: -67.385301 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -15.520 flat angles P-C4'-P energy: -7.928 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: 5, replica: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -139.939928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.939928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.939928 (E_RNA) where: Base-Base interactions energy: -88.027 where: short stacking energy: -41.975 Base-Backbone interact. energy: -0.168 local terms energy: -51.744616 where: bonds (distance) C4'-P energy: -9.471 bonds (distance) P-C4' energy: -14.477 flat angles C4'-P-C4' energy: -12.885 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -7.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -95.283392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.283392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.283392 (E_RNA) where: Base-Base interactions energy: -39.053 where: short stacking energy: -39.053 Base-Backbone interact. energy: -0.011 local terms energy: -56.219550 where: bonds (distance) C4'-P energy: -12.015 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -7.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -81.755089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.755089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.755089 (E_RNA) where: Base-Base interactions energy: -38.711 where: short stacking energy: -37.427 Base-Backbone interact. energy: -0.135 local terms energy: -42.908741 where: bonds (distance) C4'-P energy: -8.409 bonds (distance) P-C4' energy: -11.539 flat angles C4'-P-C4' energy: -10.082 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -7.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -84.792499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.792499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.792499 (E_RNA) where: Base-Base interactions energy: -35.061 where: short stacking energy: -30.016 Base-Backbone interact. energy: -0.180 local terms energy: -49.551480 where: bonds (distance) C4'-P energy: -7.212 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -14.971 flat angles P-C4'-P energy: -7.195 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: 9, replica: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -77.801250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.801250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.801250 (E_RNA) where: Base-Base interactions energy: -29.974 where: short stacking energy: -18.796 Base-Backbone interact. energy: -0.331 local terms energy: -47.496463 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -9.632 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -5.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -71.369954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.369954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.369954 (E_RNA) where: Base-Base interactions energy: -28.813 where: short stacking energy: -14.109 Base-Backbone interact. energy: 0.036 local terms energy: -42.592570 where: bonds (distance) C4'-P energy: -11.806 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -10.604 flat angles P-C4'-P energy: -3.875 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: 1, replica: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -183.742085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.742085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.742085 (E_RNA) where: Base-Base interactions energy: -117.270 where: short stacking energy: -60.203 Base-Backbone interact. energy: 0.067 local terms energy: -66.538531 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -15.588 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -175.578468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.578468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.578468 (E_RNA) where: Base-Base interactions energy: -110.089 where: short stacking energy: -62.226 Base-Backbone interact. energy: -0.090 local terms energy: -65.399699 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -7.590 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: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -171.567076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.567076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.567076 (E_RNA) where: Base-Base interactions energy: -111.816 where: short stacking energy: -55.963 Base-Backbone interact. energy: -0.003 local terms energy: -59.748606 where: bonds (distance) C4'-P energy: -12.056 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -13.866 flat angles P-C4'-P energy: -5.151 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: 4, replica: 4 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -131.758253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.758253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.758253 (E_RNA) where: Base-Base interactions energy: -83.182 where: short stacking energy: -37.066 Base-Backbone interact. energy: -0.369 local terms energy: -48.207157 where: bonds (distance) C4'-P energy: -10.991 bonds (distance) P-C4' energy: -12.525 flat angles C4'-P-C4' energy: -9.281 flat angles P-C4'-P energy: -11.165 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -162.115682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.115682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.115682 (E_RNA) where: Base-Base interactions energy: -101.115 where: short stacking energy: -48.323 Base-Backbone interact. energy: -0.973 local terms energy: -60.027786 where: bonds (distance) C4'-P energy: -14.767 bonds (distance) P-C4' energy: -12.782 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -7.794 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: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -88.864602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.864602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.864602 (E_RNA) where: Base-Base interactions energy: -33.075 where: short stacking energy: -30.508 Base-Backbone interact. energy: 0.066 local terms energy: -55.856245 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -13.413 flat angles C4'-P-C4' energy: -15.719 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -8.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -84.130859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.130859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.130859 (E_RNA) where: Base-Base interactions energy: -39.941 where: short stacking energy: -28.598 Base-Backbone interact. energy: -0.277 local terms energy: -43.913323 where: bonds (distance) C4'-P energy: -15.757 bonds (distance) P-C4' energy: -10.251 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -6.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -73.407570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.407570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.407570 (E_RNA) where: Base-Base interactions energy: -30.435 where: short stacking energy: -30.435 Base-Backbone interact. energy: -0.124 local terms energy: -42.848370 where: bonds (distance) C4'-P energy: -7.644 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -10.422 tors. eta vs tors. theta energy: -4.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -76.341162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.341162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.341162 (E_RNA) where: Base-Base interactions energy: -29.104 where: short stacking energy: -27.662 Base-Backbone interact. energy: 0.506 local terms energy: -47.743257 where: bonds (distance) C4'-P energy: -9.368 bonds (distance) P-C4' energy: -11.166 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -84.838789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.838789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.838789 (E_RNA) where: Base-Base interactions energy: -42.174 where: short stacking energy: -21.507 Base-Backbone interact. energy: 0.377 local terms energy: -43.041653 where: bonds (distance) C4'-P energy: -9.804 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -10.353 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -2.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -184.767648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.767648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.767648 (E_RNA) where: Base-Base interactions energy: -116.037 where: short stacking energy: -61.412 Base-Backbone interact. energy: -0.648 local terms energy: -68.082196 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -9.887 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: 2, replica: 3 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -175.187848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.187848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.187848 (E_RNA) where: Base-Base interactions energy: -111.023 where: short stacking energy: -47.029 Base-Backbone interact. energy: -0.757 local terms energy: -63.408323 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -12.569 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -12.470 tors. eta vs tors. theta energy: -11.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -147.119032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.119032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.119032 (E_RNA) where: Base-Base interactions energy: -86.746 where: short stacking energy: -49.896 Base-Backbone interact. energy: -0.074 local terms energy: -60.299150 where: bonds (distance) C4'-P energy: -13.104 bonds (distance) P-C4' energy: -13.865 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -8.324 tors. eta vs tors. theta energy: -11.045 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: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -166.497169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.497169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.497169 (E_RNA) where: Base-Base interactions energy: -106.463 where: short stacking energy: -55.318 Base-Backbone interact. energy: -0.091 local terms energy: -59.943559 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -14.042 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -11.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -163.718861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.718861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.718861 (E_RNA) where: Base-Base interactions energy: -100.384 where: short stacking energy: -52.749 Base-Backbone interact. energy: -0.220 local terms energy: -63.115064 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -11.310 flat angles P-C4'-P energy: -8.222 tors. eta vs tors. theta energy: -13.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -87.718860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.718860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.718860 (E_RNA) where: Base-Base interactions energy: -33.130 where: short stacking energy: -33.130 Base-Backbone interact. energy: -0.100 local terms energy: -54.488959 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -11.619 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -4.909 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: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -83.103701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.103701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.103701 (E_RNA) where: Base-Base interactions energy: -34.238 where: short stacking energy: -29.259 Base-Backbone interact. energy: -0.069 local terms energy: -48.797013 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -12.153 flat angles C4'-P-C4' energy: -10.408 flat angles P-C4'-P energy: -8.708 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: 8, replica: 5 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -77.929625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.929625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.929625 (E_RNA) where: Base-Base interactions energy: -24.708 where: short stacking energy: -23.239 Base-Backbone interact. energy: -0.140 local terms energy: -53.081457 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -13.074 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -8.655 tors. eta vs tors. theta energy: -6.789 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: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -73.205210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.205210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.205210 (E_RNA) where: Base-Base interactions energy: -30.398 where: short stacking energy: -29.821 Base-Backbone interact. energy: -0.102 local terms energy: -42.705584 where: bonds (distance) C4'-P energy: -10.316 bonds (distance) P-C4' energy: -9.219 flat angles C4'-P-C4' energy: -9.227 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -5.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -69.273995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.273995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.273995 (E_RNA) where: Base-Base interactions energy: -21.137 where: short stacking energy: -21.137 Base-Backbone interact. energy: -0.617 local terms energy: -47.520198 where: bonds (distance) C4'-P energy: -13.770 bonds (distance) P-C4' energy: -11.032 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -10.129 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -170.858176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.858176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.858176 (E_RNA) where: Base-Base interactions energy: -111.989 where: short stacking energy: -54.680 Base-Backbone interact. energy: -0.295 local terms energy: -58.574396 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -7.464 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: 2, replica: 4 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -152.983448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.983448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.983448 (E_RNA) where: Base-Base interactions energy: -91.879 where: short stacking energy: -48.916 Base-Backbone interact. energy: -0.161 local terms energy: -60.943407 where: bonds (distance) C4'-P energy: -14.639 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -13.788 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -12.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -164.717820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.717820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.717820 (E_RNA) where: Base-Base interactions energy: -114.785 where: short stacking energy: -43.753 Base-Backbone interact. energy: -0.987 local terms energy: -48.946596 where: bonds (distance) C4'-P energy: -10.303 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -14.251 flat angles P-C4'-P energy: -6.970 tors. eta vs tors. theta energy: -2.552 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: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -158.918095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.918095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.918095 (E_RNA) where: Base-Base interactions energy: -99.190 where: short stacking energy: -45.512 Base-Backbone interact. energy: -0.081 local terms energy: -59.646733 where: bonds (distance) C4'-P energy: -14.652 bonds (distance) P-C4' energy: -10.458 flat angles C4'-P-C4' energy: -12.510 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -11.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -159.191836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.191836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.191836 (E_RNA) where: Base-Base interactions energy: -104.310 where: short stacking energy: -34.435 Base-Backbone interact. energy: -0.191 local terms energy: -54.691294 where: bonds (distance) C4'-P energy: -11.018 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -9.247 tors. eta vs tors. theta energy: -5.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -88.172133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.172133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.172133 (E_RNA) where: Base-Base interactions energy: -32.217 where: short stacking energy: -31.636 Base-Backbone interact. energy: 0.678 local terms energy: -56.632534 where: bonds (distance) C4'-P energy: -13.769 bonds (distance) P-C4' energy: -12.224 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -8.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -79.503976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.503976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.503976 (E_RNA) where: Base-Base interactions energy: -40.653 where: short stacking energy: -22.372 Base-Backbone interact. energy: -0.785 local terms energy: -38.066783 where: bonds (distance) C4'-P energy: -9.108 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: 0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -73.806635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.806635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.806635 (E_RNA) where: Base-Base interactions energy: -31.600 where: short stacking energy: -20.011 Base-Backbone interact. energy: -0.230 local terms energy: -41.976789 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -11.412 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: 1.071 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: 5 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -83.959046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.959046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.959046 (E_RNA) where: Base-Base interactions energy: -39.471 where: short stacking energy: -17.574 Base-Backbone interact. energy: -0.563 local terms energy: -43.924632 where: bonds (distance) C4'-P energy: -16.200 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -0.900 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: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -78.819665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.819665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.819665 (E_RNA) where: Base-Base interactions energy: -27.979 where: short stacking energy: -22.231 Base-Backbone interact. energy: -0.358 local terms energy: -50.482617 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -12.637 flat angles C4'-P-C4' energy: -11.348 flat angles P-C4'-P energy: -8.527 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -181.520873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.520873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.520873 (E_RNA) where: Base-Base interactions energy: -114.071 where: short stacking energy: -57.599 Base-Backbone interact. energy: -0.001 local terms energy: -67.449493 where: bonds (distance) C4'-P energy: -15.501 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -14.611 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -16.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -159.687693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.687693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.687693 (E_RNA) where: Base-Base interactions energy: -91.435 where: short stacking energy: -57.059 Base-Backbone interact. energy: -0.307 local terms energy: -67.945216 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -13.843 flat angles C4'-P-C4' energy: -15.520 flat angles P-C4'-P energy: -11.050 tors. eta vs tors. theta energy: -15.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -158.943717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.943717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.943717 (E_RNA) where: Base-Base interactions energy: -109.209 where: short stacking energy: -43.343 Base-Backbone interact. energy: -0.613 local terms energy: -49.121728 where: bonds (distance) C4'-P energy: -8.260 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -12.989 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -10.570 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: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -165.613362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.613362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.613362 (E_RNA) where: Base-Base interactions energy: -107.063 where: short stacking energy: -51.153 Base-Backbone interact. energy: -0.492 local terms energy: -58.058035 where: bonds (distance) C4'-P energy: -11.873 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -13.570 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -10.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -152.462004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.462004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.462004 (E_RNA) where: Base-Base interactions energy: -89.214 where: short stacking energy: -39.773 Base-Backbone interact. energy: -0.038 local terms energy: -63.209858 where: bonds (distance) C4'-P energy: -14.429 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -11.427 flat angles P-C4'-P energy: -9.951 tors. eta vs tors. theta energy: -10.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -90.823982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.823982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.823982 (E_RNA) where: Base-Base interactions energy: -41.886 where: short stacking energy: -13.645 Base-Backbone interact. energy: -0.775 local terms energy: -48.163045 where: bonds (distance) C4'-P energy: -11.103 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -7.602 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: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -80.495708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.495708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.495708 (E_RNA) where: Base-Base interactions energy: -41.215 where: short stacking energy: -22.704 Base-Backbone interact. energy: -0.147 local terms energy: -39.132903 where: bonds (distance) C4'-P energy: -11.129 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: 0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -77.068086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.068086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.068086 (E_RNA) where: Base-Base interactions energy: -31.561 where: short stacking energy: -29.377 Base-Backbone interact. energy: -0.119 local terms energy: -45.388401 where: bonds (distance) C4'-P energy: -8.852 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -10.471 flat angles P-C4'-P energy: -10.010 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -77.067690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.067690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.067690 (E_RNA) where: Base-Base interactions energy: -37.916 where: short stacking energy: -23.892 Base-Backbone interact. energy: -0.235 local terms energy: -38.916736 where: bonds (distance) C4'-P energy: -11.373 bonds (distance) P-C4' energy: -10.651 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -6.613 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: 10, replica: 5 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -67.160046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.160046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.160046 (E_RNA) where: Base-Base interactions energy: -24.671 where: short stacking energy: -20.278 Base-Backbone interact. energy: -0.271 local terms energy: -42.217914 where: bonds (distance) C4'-P energy: -13.481 bonds (distance) P-C4' energy: -13.008 flat angles C4'-P-C4' energy: -9.594 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -187.755883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.755883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.755883 (E_RNA) where: Base-Base interactions energy: -115.299 where: short stacking energy: -60.511 Base-Backbone interact. energy: 0.129 local terms energy: -72.586429 where: bonds (distance) C4'-P energy: -14.640 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -14.603 flat angles P-C4'-P energy: -11.298 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: 395 Temperature: 0.950000 Total energy: -176.032200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.032200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.032200 (E_RNA) where: Base-Base interactions energy: -117.633 where: short stacking energy: -43.115 Base-Backbone interact. energy: -0.890 local terms energy: -57.509003 where: bonds (distance) C4'-P energy: -11.432 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -13.339 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -7.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -145.538273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.538273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.538273 (E_RNA) where: Base-Base interactions energy: -78.379 where: short stacking energy: -38.000 Base-Backbone interact. energy: -0.398 local terms energy: -66.761520 where: bonds (distance) C4'-P energy: -15.919 bonds (distance) P-C4' energy: -13.080 flat angles C4'-P-C4' energy: -16.322 flat angles P-C4'-P energy: -9.679 tors. eta vs tors. theta energy: -11.761 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: 1 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -165.581975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.581975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.581975 (E_RNA) where: Base-Base interactions energy: -103.121 where: short stacking energy: -42.915 Base-Backbone interact. energy: -0.208 local terms energy: -62.253227 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -7.905 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: 5, replica: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -167.359516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.359516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.359516 (E_RNA) where: Base-Base interactions energy: -101.622 where: short stacking energy: -60.238 Base-Backbone interact. energy: -0.922 local terms energy: -64.815428 where: bonds (distance) C4'-P energy: -9.518 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -10.248 tors. eta vs tors. theta energy: -17.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -83.543295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.543295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.543295 (E_RNA) where: Base-Base interactions energy: -28.991 where: short stacking energy: -28.911 Base-Backbone interact. energy: -0.023 local terms energy: -54.528766 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -9.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -79.922023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.922023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.922023 (E_RNA) where: Base-Base interactions energy: -34.971 where: short stacking energy: -24.076 Base-Backbone interact. energy: -0.047 local terms energy: -44.903385 where: bonds (distance) C4'-P energy: -9.907 bonds (distance) P-C4' energy: -9.898 flat angles C4'-P-C4' energy: -14.460 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -92.566394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.566394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.566394 (E_RNA) where: Base-Base interactions energy: -37.745 where: short stacking energy: -34.640 Base-Backbone interact. energy: -0.125 local terms energy: -54.696968 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -12.526 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -82.436725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.436725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.436725 (E_RNA) where: Base-Base interactions energy: -36.906 where: short stacking energy: -27.205 Base-Backbone interact. energy: -0.159 local terms energy: -45.371193 where: bonds (distance) C4'-P energy: -10.942 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -9.659 flat angles P-C4'-P energy: -7.561 tors. eta vs tors. theta energy: -4.093 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: 5 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -69.292336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.292336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.292336 (E_RNA) where: Base-Base interactions energy: -25.039 where: short stacking energy: -21.640 Base-Backbone interact. energy: 0.042 local terms energy: -44.295400 where: bonds (distance) C4'-P energy: -9.846 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -9.261 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -169.513444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.513444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.513444 (E_RNA) where: Base-Base interactions energy: -99.880 where: short stacking energy: -58.902 Base-Backbone interact. energy: -0.755 local terms energy: -68.877968 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -11.026 flat angles C4'-P-C4' energy: -13.881 flat angles P-C4'-P energy: -12.797 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: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -177.074641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.074641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.074641 (E_RNA) where: Base-Base interactions energy: -117.873 where: short stacking energy: -47.916 Base-Backbone interact. energy: -0.447 local terms energy: -58.754852 where: bonds (distance) C4'-P energy: -9.750 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -16.083 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -10.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -158.120001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.120001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.120001 (E_RNA) where: Base-Base interactions energy: -96.105 where: short stacking energy: -45.149 Base-Backbone interact. energy: 0.285 local terms energy: -62.300057 where: bonds (distance) C4'-P energy: -15.145 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -12.221 flat angles P-C4'-P energy: -10.474 tors. eta vs tors. theta energy: -11.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -160.145668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.145668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.145668 (E_RNA) where: Base-Base interactions energy: -105.219 where: short stacking energy: -44.041 Base-Backbone interact. energy: -0.500 local terms energy: -54.425859 where: bonds (distance) C4'-P energy: -10.024 bonds (distance) P-C4' energy: -12.387 flat angles C4'-P-C4' energy: -14.225 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -11.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -152.478350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.478350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.478350 (E_RNA) where: Base-Base interactions energy: -91.368 where: short stacking energy: -39.803 Base-Backbone interact. energy: -0.724 local terms energy: -60.386048 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -14.708 flat angles P-C4'-P energy: -7.385 tors. eta vs tors. theta energy: -9.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -94.383626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.383626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.383626 (E_RNA) where: Base-Base interactions energy: -39.861 where: short stacking energy: -33.944 Base-Backbone interact. energy: -0.304 local terms energy: -54.218538 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -10.603 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -6.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -90.505165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.505165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.505165 (E_RNA) where: Base-Base interactions energy: -41.024 where: short stacking energy: -28.265 Base-Backbone interact. energy: 1.987 local terms energy: -51.468227 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -12.318 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -74.512658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.512658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.512658 (E_RNA) where: Base-Base interactions energy: -39.399 where: short stacking energy: -22.116 Base-Backbone interact. energy: -0.512 local terms energy: -34.602188 where: bonds (distance) C4'-P energy: -9.395 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -9.176 flat angles P-C4'-P energy: -1.745 tors. eta vs tors. theta energy: 0.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -89.492036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.492036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.492036 (E_RNA) where: Base-Base interactions energy: -47.153 where: short stacking energy: -19.457 Base-Backbone interact. energy: -1.102 local terms energy: -41.237089 where: bonds (distance) C4'-P energy: -9.198 bonds (distance) P-C4' energy: -14.245 flat angles C4'-P-C4' energy: -11.779 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -1.889 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: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -66.092603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.092603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.092603 (E_RNA) where: Base-Base interactions energy: -26.780 where: short stacking energy: -25.278 Base-Backbone interact. energy: -0.752 local terms energy: -38.559906 where: bonds (distance) C4'-P energy: -9.879 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -10.327 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -179.686292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.686292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.686292 (E_RNA) where: Base-Base interactions energy: -107.695 where: short stacking energy: -51.643 Base-Backbone interact. energy: 0.182 local terms energy: -72.173378 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -15.622 flat angles P-C4'-P energy: -12.226 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: 2, replica: 3 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -182.165064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.165064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.165064 (E_RNA) where: Base-Base interactions energy: -123.331 where: short stacking energy: -48.984 Base-Backbone interact. energy: -0.401 local terms energy: -58.432805 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -12.536 flat angles P-C4'-P energy: -8.494 tors. eta vs tors. theta energy: -10.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -145.669345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.669345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.669345 (E_RNA) where: Base-Base interactions energy: -90.955 where: short stacking energy: -42.697 Base-Backbone interact. energy: -0.168 local terms energy: -54.546042 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -10.652 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -10.763 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: 4, replica: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -170.250311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.250311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.250311 (E_RNA) where: Base-Base interactions energy: -100.277 where: short stacking energy: -46.653 Base-Backbone interact. energy: -0.101 local terms energy: -69.872763 where: bonds (distance) C4'-P energy: -15.243 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -13.120 tors. eta vs tors. theta energy: -15.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -159.404551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.404551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.404551 (E_RNA) where: Base-Base interactions energy: -97.045 where: short stacking energy: -54.957 Base-Backbone interact. energy: -0.671 local terms energy: -61.689007 where: bonds (distance) C4'-P energy: -9.410 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -15.623 flat angles P-C4'-P energy: -9.724 tors. eta vs tors. theta energy: -15.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -96.895038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.895038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.895038 (E_RNA) where: Base-Base interactions energy: -47.644 where: short stacking energy: -35.569 Base-Backbone interact. energy: 0.028 local terms energy: -49.279212 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -8.398 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -5.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -107.611315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.611315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.611315 (E_RNA) where: Base-Base interactions energy: -63.021 where: short stacking energy: -28.891 Base-Backbone interact. energy: -0.130 local terms energy: -44.459668 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -8.593 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -4.761 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: 8, replica: 2 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -78.939461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.939461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.939461 (E_RNA) where: Base-Base interactions energy: -29.837 where: short stacking energy: -27.359 Base-Backbone interact. energy: 3.081 local terms energy: -52.183603 where: bonds (distance) C4'-P energy: -14.640 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -9.433 flat angles P-C4'-P energy: -8.437 tors. eta vs tors. theta energy: -6.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -81.630479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.630479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.630479 (E_RNA) where: Base-Base interactions energy: -40.703 where: short stacking energy: -14.356 Base-Backbone interact. energy: -1.086 local terms energy: -39.841102 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -16.472 flat angles C4'-P-C4' energy: -11.365 flat angles P-C4'-P energy: -1.493 tors. eta vs tors. theta energy: 2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -68.694529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.694529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.694529 (E_RNA) where: Base-Base interactions energy: -36.582 where: short stacking energy: -33.850 Base-Backbone interact. energy: -0.589 local terms energy: -31.523413 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -10.683 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -4.436 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: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -184.962492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.962492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.962492 (E_RNA) where: Base-Base interactions energy: -124.478 where: short stacking energy: -45.659 Base-Backbone interact. energy: -0.603 local terms energy: -59.881738 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -15.592 flat angles C4'-P-C4' energy: -11.845 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -10.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -166.547355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.547355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.547355 (E_RNA) where: Base-Base interactions energy: -103.847 where: short stacking energy: -52.118 Base-Backbone interact. energy: -0.590 local terms energy: -62.110903 where: bonds (distance) C4'-P energy: -10.690 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -11.671 flat angles P-C4'-P energy: -10.683 tors. eta vs tors. theta energy: -14.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -184.766377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.766377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.766377 (E_RNA) where: Base-Base interactions energy: -122.118 where: short stacking energy: -49.571 Base-Backbone interact. energy: 0.107 local terms energy: -62.754731 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -10.930 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: 398 Temperature: 1.050000 Total energy: -151.621013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.621013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.621013 (E_RNA) where: Base-Base interactions energy: -92.898 where: short stacking energy: -43.804 Base-Backbone interact. energy: -0.180 local terms energy: -58.542529 where: bonds (distance) C4'-P energy: -11.046 bonds (distance) P-C4' energy: -15.269 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -11.120 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: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -168.763121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.763121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.763121 (E_RNA) where: Base-Base interactions energy: -105.775 where: short stacking energy: -54.589 Base-Backbone interact. energy: 0.604 local terms energy: -63.592232 where: bonds (distance) C4'-P energy: -13.660 bonds (distance) P-C4' energy: -9.360 flat angles C4'-P-C4' energy: -13.909 flat angles P-C4'-P energy: -8.793 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: 6, replica: 8 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -87.441700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.441700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.441700 (E_RNA) where: Base-Base interactions energy: -40.148 where: short stacking energy: -30.502 Base-Backbone interact. energy: -0.389 local terms energy: -46.905356 where: bonds (distance) C4'-P energy: -7.681 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -11.306 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -7.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -99.257192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.257192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.257192 (E_RNA) where: Base-Base interactions energy: -45.515 where: short stacking energy: -32.432 Base-Backbone interact. energy: -0.373 local terms energy: -53.369041 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -10.337 tors. eta vs tors. theta energy: -5.196 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: 6 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -70.879255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.879255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.879255 (E_RNA) where: Base-Base interactions energy: -21.506 where: short stacking energy: -18.461 Base-Backbone interact. energy: -0.233 local terms energy: -49.139972 where: bonds (distance) C4'-P energy: -14.705 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -9.618 flat angles P-C4'-P energy: -7.157 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -80.505360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.505360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.505360 (E_RNA) where: Base-Base interactions energy: -30.692 where: short stacking energy: -30.535 Base-Backbone interact. energy: -0.081 local terms energy: -49.732833 where: bonds (distance) C4'-P energy: -12.785 bonds (distance) P-C4' energy: -14.261 flat angles C4'-P-C4' energy: -8.660 flat angles P-C4'-P energy: -6.695 tors. eta vs tors. theta energy: -7.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -67.916669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.916669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.916669 (E_RNA) where: Base-Base interactions energy: -23.876 where: short stacking energy: -23.427 Base-Backbone interact. energy: -0.153 local terms energy: -43.887321 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -9.443 flat angles P-C4'-P energy: -9.375 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: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -187.770670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.770670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.770670 (E_RNA) where: Base-Base interactions energy: -123.737 where: short stacking energy: -46.577 Base-Backbone interact. energy: -1.513 local terms energy: -62.520461 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -15.263 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -15.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -184.959187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.959187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.959187 (E_RNA) where: Base-Base interactions energy: -114.961 where: short stacking energy: -60.168 Base-Backbone interact. energy: -0.197 local terms energy: -69.801186 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -10.812 tors. eta vs tors. theta energy: -16.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -163.228891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.228891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.228891 (E_RNA) where: Base-Base interactions energy: -103.784 where: short stacking energy: -45.052 Base-Backbone interact. energy: -0.153 local terms energy: -59.291796 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -10.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -155.060653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.060653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.060653 (E_RNA) where: Base-Base interactions energy: -97.421 where: short stacking energy: -31.808 Base-Backbone interact. energy: -0.534 local terms energy: -57.106180 where: bonds (distance) C4'-P energy: -14.730 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -14.815 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -154.565284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.565284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.565284 (E_RNA) where: Base-Base interactions energy: -92.838 where: short stacking energy: -50.559 Base-Backbone interact. energy: -0.096 local terms energy: -61.631016 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -11.924 flat angles C4'-P-C4' energy: -13.703 flat angles P-C4'-P energy: -7.547 tors. eta vs tors. theta energy: -16.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -118.039395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.039395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.039395 (E_RNA) where: Base-Base interactions energy: -70.002 where: short stacking energy: -27.773 Base-Backbone interact. energy: -0.593 local terms energy: -47.443851 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -86.575186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.575186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.575186 (E_RNA) where: Base-Base interactions energy: -34.280 where: short stacking energy: -27.199 Base-Backbone interact. energy: -0.136 local terms energy: -52.158991 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -14.516 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -6.426 tors. eta vs tors. theta energy: -5.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -73.614317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.614317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.614317 (E_RNA) where: Base-Base interactions energy: -23.591 where: short stacking energy: -23.430 Base-Backbone interact. energy: -0.171 local terms energy: -49.852313 where: bonds (distance) C4'-P energy: -11.841 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -6.986 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: 6 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -74.821863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.821863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.821863 (E_RNA) where: Base-Base interactions energy: -30.341 where: short stacking energy: -26.297 Base-Backbone interact. energy: 0.403 local terms energy: -44.883629 where: bonds (distance) C4'-P energy: -9.945 bonds (distance) P-C4' energy: -11.973 flat angles C4'-P-C4' energy: -10.299 flat angles P-C4'-P energy: -7.911 tors. eta vs tors. theta energy: -4.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -80.157973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.157973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.157973 (E_RNA) where: Base-Base interactions energy: -28.028 where: short stacking energy: -28.028 Base-Backbone interact. energy: -0.027 local terms energy: -52.102227 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -14.071 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -5.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -200.055691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.055691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.055691 (E_RNA) where: Base-Base interactions energy: -132.892 where: short stacking energy: -47.353 Base-Backbone interact. energy: -0.428 local terms energy: -66.736093 where: bonds (distance) C4'-P energy: -16.134 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -15.403 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -13.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -173.396603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.396603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.396603 (E_RNA) where: Base-Base interactions energy: -108.942 where: short stacking energy: -52.502 Base-Backbone interact. energy: -0.064 local terms energy: -64.390615 where: bonds (distance) C4'-P energy: -11.270 bonds (distance) P-C4' energy: -12.826 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -9.900 tors. eta vs tors. theta energy: -15.183 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: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -160.990347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.990347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.990347 (E_RNA) where: Base-Base interactions energy: -105.560 where: short stacking energy: -49.960 Base-Backbone interact. energy: -0.468 local terms energy: -54.963154 where: bonds (distance) C4'-P energy: -14.701 bonds (distance) P-C4' energy: -11.046 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -12.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -162.513512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.513512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.513512 (E_RNA) where: Base-Base interactions energy: -98.365 where: short stacking energy: -49.607 Base-Backbone interact. energy: 0.261 local terms energy: -64.410302 where: bonds (distance) C4'-P energy: -10.624 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -15.655 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: 5, replica: 2 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -88.096429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.096429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.096429 (E_RNA) where: Base-Base interactions energy: -34.870 where: short stacking energy: -16.137 Base-Backbone interact. energy: -0.787 local terms energy: -52.438572 where: bonds (distance) C4'-P energy: -11.439 bonds (distance) P-C4' energy: -11.082 flat angles C4'-P-C4' energy: -14.514 flat angles P-C4'-P energy: -10.281 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -158.024696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.024696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.024696 (E_RNA) where: Base-Base interactions energy: -102.224 where: short stacking energy: -45.541 Base-Backbone interact. energy: -0.191 local terms energy: -55.609618 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -9.867 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -8.927 tors. eta vs tors. theta energy: -9.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -91.283843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.283843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.283843 (E_RNA) where: Base-Base interactions energy: -36.046 where: short stacking energy: -29.054 Base-Backbone interact. energy: 0.305 local terms energy: -55.542533 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -10.407 flat angles P-C4'-P energy: -9.518 tors. eta vs tors. theta energy: -8.110 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: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -72.351654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.351654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.351654 (E_RNA) where: Base-Base interactions energy: -13.765 where: short stacking energy: -12.476 Base-Backbone interact. energy: -0.155 local terms energy: -58.431932 where: bonds (distance) C4'-P energy: -16.146 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -14.042 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -81.227559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.227559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.227559 (E_RNA) where: Base-Base interactions energy: -37.037 where: short stacking energy: -21.086 Base-Backbone interact. energy: -1.171 local terms energy: -43.019886 where: bonds (distance) C4'-P energy: -9.468 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -10.993 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: 0.253 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: 10, replica: 6 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -72.558620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.558620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.558620 (E_RNA) where: Base-Base interactions energy: -37.829 where: short stacking energy: -20.186 Base-Backbone interact. energy: -0.196 local terms energy: -34.533517 where: bonds (distance) C4'-P energy: -7.801 bonds (distance) P-C4' energy: -8.159 flat angles C4'-P-C4' energy: -9.784 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -196.575448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.575448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.575448 (E_RNA) where: Base-Base interactions energy: -133.006 where: short stacking energy: -46.887 Base-Backbone interact. energy: -0.557 local terms energy: -63.012550 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -16.312 flat angles C4'-P-C4' energy: -14.516 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -10.121 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: 1 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -162.910716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.910716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.910716 (E_RNA) where: Base-Base interactions energy: -102.176 where: short stacking energy: -44.356 Base-Backbone interact. energy: -0.622 local terms energy: -60.112614 where: bonds (distance) C4'-P energy: -13.336 bonds (distance) P-C4' energy: -13.062 flat angles C4'-P-C4' energy: -14.151 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -10.464 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: 3, replica: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -177.705949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.705949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.705949 (E_RNA) where: Base-Base interactions energy: -116.715 where: short stacking energy: -52.892 Base-Backbone interact. energy: -0.551 local terms energy: -60.439826 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -11.277 flat angles C4'-P-C4' energy: -13.211 flat angles P-C4'-P energy: -7.813 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: 4, replica: 2 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -101.512237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.512237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.512237 (E_RNA) where: Base-Base interactions energy: -46.121 where: short stacking energy: -33.401 Base-Backbone interact. energy: -0.116 local terms energy: -55.275310 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -8.470 flat angles C4'-P-C4' energy: -15.943 flat angles P-C4'-P energy: -10.723 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -154.002483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.002483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.002483 (E_RNA) where: Base-Base interactions energy: -89.807 where: short stacking energy: -47.312 Base-Backbone interact. energy: -0.001 local terms energy: -64.194159 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -16.590 flat angles P-C4'-P energy: -11.698 tors. eta vs tors. theta energy: -11.657 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: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -146.297179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.297179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.297179 (E_RNA) where: Base-Base interactions energy: -90.094 where: short stacking energy: -37.686 Base-Backbone interact. energy: -0.439 local terms energy: -55.764600 where: bonds (distance) C4'-P energy: -6.768 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -15.278 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -11.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -82.589796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.589796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.589796 (E_RNA) where: Base-Base interactions energy: -37.390 where: short stacking energy: -23.395 Base-Backbone interact. energy: -0.326 local terms energy: -44.873429 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -15.892 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: 2.661 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: 8, replica: 7 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -76.100881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.100881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.100881 (E_RNA) where: Base-Base interactions energy: -21.819 where: short stacking energy: -20.121 Base-Backbone interact. energy: -0.087 local terms energy: -54.195060 where: bonds (distance) C4'-P energy: -11.844 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -11.353 tors. eta vs tors. theta energy: -6.294 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: 8 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -92.992615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.992615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.992615 (E_RNA) where: Base-Base interactions energy: -39.096 where: short stacking energy: -38.158 Base-Backbone interact. energy: -0.333 local terms energy: -53.562927 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -10.996 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -10.343 tors. eta vs tors. theta energy: -8.013 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: 6 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -63.955163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.955163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.955163 (E_RNA) where: Base-Base interactions energy: -26.153 where: short stacking energy: -11.002 Base-Backbone interact. energy: 3.170 local terms energy: -40.972256 where: bonds (distance) C4'-P energy: -13.822 bonds (distance) P-C4' energy: -14.289 flat angles C4'-P-C4' energy: -10.487 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: 2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -179.738794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.738794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.738794 (E_RNA) where: Base-Base interactions energy: -120.059 where: short stacking energy: -47.651 Base-Backbone interact. energy: -0.278 local terms energy: -59.402333 where: bonds (distance) C4'-P energy: -11.302 bonds (distance) P-C4' energy: -12.100 flat angles C4'-P-C4' energy: -14.834 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -11.781 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: 1 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -178.703491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.703491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.703491 (E_RNA) where: Base-Base interactions energy: -116.916 where: short stacking energy: -62.889 Base-Backbone interact. energy: -0.638 local terms energy: -61.149662 where: bonds (distance) C4'-P energy: -13.837 bonds (distance) P-C4' energy: -9.406 flat angles C4'-P-C4' energy: -12.017 flat angles P-C4'-P energy: -9.093 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: 3, replica: 3 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -172.069518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.069518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.069518 (E_RNA) where: Base-Base interactions energy: -114.335 where: short stacking energy: -42.185 Base-Backbone interact. energy: -0.259 local terms energy: -57.475764 where: bonds (distance) C4'-P energy: -15.526 bonds (distance) P-C4' energy: -11.056 flat angles C4'-P-C4' energy: -11.554 flat angles P-C4'-P energy: -8.476 tors. eta vs tors. theta energy: -10.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -109.261097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.261097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.261097 (E_RNA) where: Base-Base interactions energy: -47.617 where: short stacking energy: -35.133 Base-Backbone interact. energy: -1.141 local terms energy: -60.503451 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -16.106 flat angles C4'-P-C4' energy: -10.141 flat angles P-C4'-P energy: -10.616 tors. eta vs tors. theta energy: -9.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -170.868823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.868823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.868823 (E_RNA) where: Base-Base interactions energy: -103.966 where: short stacking energy: -57.666 Base-Backbone interact. energy: -0.001 local terms energy: -66.902302 where: bonds (distance) C4'-P energy: -12.048 bonds (distance) P-C4' energy: -12.295 flat angles C4'-P-C4' energy: -13.376 flat angles P-C4'-P energy: -10.150 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: 6, replica: 4 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -147.167575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.167575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.167575 (E_RNA) where: Base-Base interactions energy: -100.774 where: short stacking energy: -42.498 Base-Backbone interact. energy: -0.134 local terms energy: -46.260170 where: bonds (distance) C4'-P energy: -8.774 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -7.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -102.717119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.717119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.717119 (E_RNA) where: Base-Base interactions energy: -52.390 where: short stacking energy: -24.692 Base-Backbone interact. energy: 2.309 local terms energy: -52.635610 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -14.371 flat angles C4'-P-C4' energy: -14.991 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -2.145 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: 5 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -82.561837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.561837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.561837 (E_RNA) where: Base-Base interactions energy: -35.162 where: short stacking energy: -25.261 Base-Backbone interact. energy: -0.192 local terms energy: -47.208712 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -11.072 flat angles P-C4'-P energy: -10.234 tors. eta vs tors. theta energy: -2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -64.570073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.570073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.570073 (E_RNA) where: Base-Base interactions energy: -21.502 where: short stacking energy: -21.502 Base-Backbone interact. energy: 1.246 local terms energy: -44.314440 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -9.465 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -0.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -81.989044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.989044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.989044 (E_RNA) where: Base-Base interactions energy: -37.263 where: short stacking energy: -22.335 Base-Backbone interact. energy: -0.489 local terms energy: -44.237293 where: bonds (distance) C4'-P energy: -9.174 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -11.134 tors. eta vs tors. theta energy: -5.549 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: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -179.854816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.854816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.854816 (E_RNA) where: Base-Base interactions energy: -118.276 where: short stacking energy: -50.846 Base-Backbone interact. energy: -0.927 local terms energy: -60.651616 where: bonds (distance) C4'-P energy: -12.292 bonds (distance) P-C4' energy: -14.018 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -12.489 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: 403 Temperature: 0.950000 Total energy: -169.357597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.357597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.357597 (E_RNA) where: Base-Base interactions energy: -107.764 where: short stacking energy: -53.504 Base-Backbone interact. energy: -0.880 local terms energy: -60.714001 where: bonds (distance) C4'-P energy: -15.137 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -6.486 tors. eta vs tors. theta energy: -13.332 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: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -179.237205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.237205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.237205 (E_RNA) where: Base-Base interactions energy: -113.544 where: short stacking energy: -56.589 Base-Backbone interact. energy: -0.382 local terms energy: -65.310867 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -13.880 flat angles P-C4'-P energy: -11.493 tors. eta vs tors. theta energy: -14.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -163.198805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.198805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.198805 (E_RNA) where: Base-Base interactions energy: -98.119 where: short stacking energy: -41.888 Base-Backbone interact. energy: -0.000 local terms energy: -65.079498 where: bonds (distance) C4'-P energy: -15.132 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -13.242 flat angles P-C4'-P energy: -6.364 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: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -91.108480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.108480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.108480 (E_RNA) where: Base-Base interactions energy: -42.562 where: short stacking energy: -30.857 Base-Backbone interact. energy: -0.462 local terms energy: -48.085290 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -13.208 flat angles C4'-P-C4' energy: -10.969 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -4.973 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: 4 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -130.096745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.096745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.096745 (E_RNA) where: Base-Base interactions energy: -75.131 where: short stacking energy: -34.741 Base-Backbone interact. energy: -0.108 local terms energy: -54.857647 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -10.350 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -6.232 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: 7, replica: 7 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -99.458382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.458382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.458382 (E_RNA) where: Base-Base interactions energy: -50.954 where: short stacking energy: -36.886 Base-Backbone interact. energy: -0.118 local terms energy: -48.386402 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -12.288 flat angles P-C4'-P energy: -10.800 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -89.818102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.818102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.818102 (E_RNA) where: Base-Base interactions energy: -42.575 where: short stacking energy: -27.279 Base-Backbone interact. energy: -1.406 local terms energy: -45.837443 where: bonds (distance) C4'-P energy: -11.037 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -11.418 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -4.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -68.556948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.556948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.556948 (E_RNA) where: Base-Base interactions energy: -20.808 where: short stacking energy: -20.808 Base-Backbone interact. energy: 0.178 local terms energy: -47.926143 where: bonds (distance) C4'-P energy: -11.468 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -8.125 tors. eta vs tors. theta energy: -3.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -66.372866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.372866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.372866 (E_RNA) where: Base-Base interactions energy: -20.352 where: short stacking energy: -20.352 Base-Backbone interact. energy: -0.114 local terms energy: -45.907277 where: bonds (distance) C4'-P energy: -12.474 bonds (distance) P-C4' energy: -13.883 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -186.417443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.417443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.417443 (E_RNA) where: Base-Base interactions energy: -120.590 where: short stacking energy: -55.200 Base-Backbone interact. energy: -0.256 local terms energy: -65.570835 where: bonds (distance) C4'-P energy: -16.407 bonds (distance) P-C4' energy: -14.994 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -8.615 tors. eta vs tors. theta energy: -12.872 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: 2, replica: 10 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -169.344058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.344058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.344058 (E_RNA) where: Base-Base interactions energy: -105.072 where: short stacking energy: -46.414 Base-Backbone interact. energy: -0.103 local terms energy: -64.169076 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -15.009 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: -14.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -174.972279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.972279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.972279 (E_RNA) where: Base-Base interactions energy: -116.817 where: short stacking energy: -57.539 Base-Backbone interact. energy: -0.371 local terms energy: -57.784337 where: bonds (distance) C4'-P energy: -11.795 bonds (distance) P-C4' energy: -12.984 flat angles C4'-P-C4' energy: -12.488 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -11.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -179.098586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.098586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.098586 (E_RNA) where: Base-Base interactions energy: -122.594 where: short stacking energy: -56.342 Base-Backbone interact. energy: -0.093 local terms energy: -56.411495 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -11.967 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -13.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -158.030540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.030540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.030540 (E_RNA) where: Base-Base interactions energy: -100.574 where: short stacking energy: -43.863 Base-Backbone interact. energy: -0.513 local terms energy: -56.943326 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -9.475 tors. eta vs tors. theta energy: -8.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -83.376548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.376548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.376548 (E_RNA) where: Base-Base interactions energy: -31.925 where: short stacking energy: -31.925 Base-Backbone interact. energy: -0.250 local terms energy: -51.201723 where: bonds (distance) C4'-P energy: -16.568 bonds (distance) P-C4' energy: -9.634 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -94.924456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.924456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.924456 (E_RNA) where: Base-Base interactions energy: -39.182 where: short stacking energy: -25.406 Base-Backbone interact. energy: -0.103 local terms energy: -55.638850 where: bonds (distance) C4'-P energy: -15.028 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -10.091 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -10.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -76.402590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.402590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.402590 (E_RNA) where: Base-Base interactions energy: -33.926 where: short stacking energy: -25.624 Base-Backbone interact. energy: -0.015 local terms energy: -42.461769 where: bonds (distance) C4'-P energy: -10.693 bonds (distance) P-C4' energy: -10.264 flat angles C4'-P-C4' energy: -8.945 flat angles P-C4'-P energy: -9.249 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: 9, replica: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -77.585716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.585716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.585716 (E_RNA) where: Base-Base interactions energy: -32.703 where: short stacking energy: -31.887 Base-Backbone interact. energy: -0.208 local terms energy: -44.673973 where: bonds (distance) C4'-P energy: -11.305 bonds (distance) P-C4' energy: -12.319 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -74.331591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.331591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.331591 (E_RNA) where: Base-Base interactions energy: -28.131 where: short stacking energy: -28.131 Base-Backbone interact. energy: 1.993 local terms energy: -48.194302 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -12.650 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -5.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -184.641237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.641237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.641237 (E_RNA) where: Base-Base interactions energy: -113.658 where: short stacking energy: -49.833 Base-Backbone interact. energy: -0.800 local terms energy: -70.183078 where: bonds (distance) C4'-P energy: -17.226 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -15.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -170.928465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.928465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.928465 (E_RNA) where: Base-Base interactions energy: -112.506 where: short stacking energy: -45.822 Base-Backbone interact. energy: -0.534 local terms energy: -57.888593 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -12.078 flat angles C4'-P-C4' energy: -11.519 flat angles P-C4'-P energy: -7.958 tors. eta vs tors. theta energy: -12.451 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: 3, replica: 10 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -160.817089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.817089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.817089 (E_RNA) where: Base-Base interactions energy: -100.646 where: short stacking energy: -45.900 Base-Backbone interact. energy: -0.070 local terms energy: -60.101353 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -14.935 flat angles C4'-P-C4' energy: -10.863 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -10.733 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: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -156.033492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.033492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.033492 (E_RNA) where: Base-Base interactions energy: -99.508 where: short stacking energy: -49.055 Base-Backbone interact. energy: -0.364 local terms energy: -56.160642 where: bonds (distance) C4'-P energy: -12.285 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -6.884 tors. eta vs tors. theta energy: -8.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -156.625547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.625547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.625547 (E_RNA) where: Base-Base interactions energy: -94.876 where: short stacking energy: -51.498 Base-Backbone interact. energy: -0.063 local terms energy: -61.686527 where: bonds (distance) C4'-P energy: -8.554 bonds (distance) P-C4' energy: -13.632 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -9.229 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: 6, replica: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -106.278374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.278374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.278374 (E_RNA) where: Base-Base interactions energy: -51.105 where: short stacking energy: -22.825 Base-Backbone interact. energy: -0.115 local terms energy: -55.057657 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -10.305 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -5.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -81.560740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.560740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.560740 (E_RNA) where: Base-Base interactions energy: -32.616 where: short stacking energy: -27.732 Base-Backbone interact. energy: -0.238 local terms energy: -48.706976 where: bonds (distance) C4'-P energy: -13.678 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -11.513 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: 8, replica: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -78.094300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.094300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.094300 (E_RNA) where: Base-Base interactions energy: -31.467 where: short stacking energy: -31.467 Base-Backbone interact. energy: -0.182 local terms energy: -46.445374 where: bonds (distance) C4'-P energy: -12.076 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -10.159 tors. eta vs tors. theta energy: -3.766 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: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -69.598966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.598966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.598966 (E_RNA) where: Base-Base interactions energy: -22.339 where: short stacking energy: -19.467 Base-Backbone interact. energy: -0.102 local terms energy: -47.158696 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -6.780 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -3.781 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: 5 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -74.200606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.200606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.200606 (E_RNA) where: Base-Base interactions energy: -26.785 where: short stacking energy: -26.785 Base-Backbone interact. energy: -0.039 local terms energy: -47.375906 where: bonds (distance) C4'-P energy: -12.064 bonds (distance) P-C4' energy: -10.089 flat angles C4'-P-C4' energy: -11.457 flat angles P-C4'-P energy: -9.981 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: 1, replica: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -186.490867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.490867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.490867 (E_RNA) where: Base-Base interactions energy: -124.406 where: short stacking energy: -51.459 Base-Backbone interact. energy: -0.106 local terms energy: -61.978934 where: bonds (distance) C4'-P energy: -9.524 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -11.831 flat angles P-C4'-P energy: -11.864 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: 2, replica: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -171.330170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.330170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.330170 (E_RNA) where: Base-Base interactions energy: -107.535 where: short stacking energy: -46.146 Base-Backbone interact. energy: -0.642 local terms energy: -63.153187 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -15.858 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -14.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -169.559760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.559760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.559760 (E_RNA) where: Base-Base interactions energy: -101.147 where: short stacking energy: -52.127 Base-Backbone interact. energy: -0.112 local terms energy: -68.300938 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -6.877 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: 4, replica: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -167.736082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.736082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.736082 (E_RNA) where: Base-Base interactions energy: -104.500 where: short stacking energy: -52.689 Base-Backbone interact. energy: -0.218 local terms energy: -63.017611 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -8.137 tors. eta vs tors. theta energy: -14.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -147.058618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.058618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.058618 (E_RNA) where: Base-Base interactions energy: -89.508 where: short stacking energy: -44.520 Base-Backbone interact. energy: -0.234 local terms energy: -57.316268 where: bonds (distance) C4'-P energy: -13.244 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -11.621 flat angles P-C4'-P energy: -7.460 tors. eta vs tors. theta energy: -11.928 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: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -96.143160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.143160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.143160 (E_RNA) where: Base-Base interactions energy: -43.381 where: short stacking energy: -34.764 Base-Backbone interact. energy: -0.141 local terms energy: -52.620451 where: bonds (distance) C4'-P energy: -11.256 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -13.011 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -8.236 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: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -94.186551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.186551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.186551 (E_RNA) where: Base-Base interactions energy: -45.238 where: short stacking energy: -23.756 Base-Backbone interact. energy: -0.498 local terms energy: -48.450037 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -14.490 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -9.474 tors. eta vs tors. theta energy: -4.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -71.819582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.819582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.819582 (E_RNA) where: Base-Base interactions energy: -24.671 where: short stacking energy: -24.515 Base-Backbone interact. energy: -0.897 local terms energy: -46.251354 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -10.283 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -6.834 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: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -95.741943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.741943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.741943 (E_RNA) where: Base-Base interactions energy: -50.394 where: short stacking energy: -24.956 Base-Backbone interact. energy: -0.328 local terms energy: -45.019346 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -10.564 flat angles C4'-P-C4' energy: -11.338 flat angles P-C4'-P energy: -11.764 tors. eta vs tors. theta energy: -4.673 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: 6 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -68.377776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.377776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.377776 (E_RNA) where: Base-Base interactions energy: -39.630 where: short stacking energy: -15.983 Base-Backbone interact. energy: -0.285 local terms energy: -28.463388 where: bonds (distance) C4'-P energy: -7.929 bonds (distance) P-C4' energy: -12.615 flat angles C4'-P-C4' energy: -2.108 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -192.217130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.217130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.217130 (E_RNA) where: Base-Base interactions energy: -127.845 where: short stacking energy: -54.665 Base-Backbone interact. energy: -0.382 local terms energy: -63.990272 where: bonds (distance) C4'-P energy: -14.353 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -12.007 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -15.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -177.264472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.264472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.264472 (E_RNA) where: Base-Base interactions energy: -116.981 where: short stacking energy: -55.508 Base-Backbone interact. energy: -0.823 local terms energy: -59.460288 where: bonds (distance) C4'-P energy: -14.639 bonds (distance) P-C4' energy: -12.291 flat angles C4'-P-C4' energy: -16.780 flat angles P-C4'-P energy: -1.317 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: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -161.476099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.476099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.476099 (E_RNA) where: Base-Base interactions energy: -104.982 where: short stacking energy: -54.313 Base-Backbone interact. energy: -0.207 local terms energy: -56.287115 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -10.827 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -8.077 tors. eta vs tors. theta energy: -11.829 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: 4, replica: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -156.826497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.826497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.826497 (E_RNA) where: Base-Base interactions energy: -91.201 where: short stacking energy: -41.316 Base-Backbone interact. energy: -0.488 local terms energy: -65.137435 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -13.762 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -11.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -161.794200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.794200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.794200 (E_RNA) where: Base-Base interactions energy: -99.893 where: short stacking energy: -55.918 Base-Backbone interact. energy: -0.029 local terms energy: -61.872535 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -9.837 tors. eta vs tors. theta energy: -13.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -104.715654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.715654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.715654 (E_RNA) where: Base-Base interactions energy: -57.610 where: short stacking energy: -33.589 Base-Backbone interact. energy: -0.032 local terms energy: -47.074029 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -9.535 flat angles P-C4'-P energy: -2.803 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: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -96.374634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.374634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.374634 (E_RNA) where: Base-Base interactions energy: -48.507 where: short stacking energy: -26.445 Base-Backbone interact. energy: -0.163 local terms energy: -47.704450 where: bonds (distance) C4'-P energy: -9.498 bonds (distance) P-C4' energy: -16.545 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -91.333973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.333973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.333973 (E_RNA) where: Base-Base interactions energy: -33.289 where: short stacking energy: -33.216 Base-Backbone interact. energy: -0.272 local terms energy: -57.772526 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -14.278 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -5.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -71.544250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.544250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.544250 (E_RNA) where: Base-Base interactions energy: -15.501 where: short stacking energy: -15.501 Base-Backbone interact. energy: -0.083 local terms energy: -55.959744 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -16.121 flat angles P-C4'-P energy: -9.401 tors. eta vs tors. theta energy: -3.998 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: 10, replica: 6 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -68.903978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.903978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.903978 (E_RNA) where: Base-Base interactions energy: -24.327 where: short stacking energy: -24.327 Base-Backbone interact. energy: -0.588 local terms energy: -43.988336 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -9.696 flat angles P-C4'-P energy: -9.387 tors. eta vs tors. theta energy: -0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -178.418077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.418077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.418077 (E_RNA) where: Base-Base interactions energy: -123.958 where: short stacking energy: -48.902 Base-Backbone interact. energy: -0.005 local terms energy: -54.455800 where: bonds (distance) C4'-P energy: -11.613 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -12.305 flat angles P-C4'-P energy: -2.747 tors. eta vs tors. theta energy: -12.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -173.316588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.316588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.316588 (E_RNA) where: Base-Base interactions energy: -108.539 where: short stacking energy: -46.355 Base-Backbone interact. energy: -0.345 local terms energy: -64.432232 where: bonds (distance) C4'-P energy: -15.989 bonds (distance) P-C4' energy: -11.799 flat angles C4'-P-C4' energy: -13.558 flat angles P-C4'-P energy: -10.776 tors. eta vs tors. theta energy: -12.310 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: 4 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -174.408689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.408689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.408689 (E_RNA) where: Base-Base interactions energy: -105.402 where: short stacking energy: -38.692 Base-Backbone interact. energy: -1.029 local terms energy: -67.976882 where: bonds (distance) C4'-P energy: -16.552 bonds (distance) P-C4' energy: -15.067 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -9.793 tors. eta vs tors. theta energy: -12.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -161.686334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.686334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.686334 (E_RNA) where: Base-Base interactions energy: -109.294 where: short stacking energy: -50.236 Base-Backbone interact. energy: -0.252 local terms energy: -52.140862 where: bonds (distance) C4'-P energy: -9.248 bonds (distance) P-C4' energy: -11.947 flat angles C4'-P-C4' energy: -9.774 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -12.425 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: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -157.144983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.144983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.144983 (E_RNA) where: Base-Base interactions energy: -94.577 where: short stacking energy: -44.465 Base-Backbone interact. energy: -0.738 local terms energy: -61.830553 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -11.722 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -13.234 tors. eta vs tors. theta energy: -11.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -81.505090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.505090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.505090 (E_RNA) where: Base-Base interactions energy: -31.842 where: short stacking energy: -19.589 Base-Backbone interact. energy: -0.393 local terms energy: -49.270552 where: bonds (distance) C4'-P energy: -14.762 bonds (distance) P-C4' energy: -12.494 flat angles C4'-P-C4' energy: -9.465 flat angles P-C4'-P energy: -11.820 tors. eta vs tors. theta energy: -0.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -81.063279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.063279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.063279 (E_RNA) where: Base-Base interactions energy: -33.973 where: short stacking energy: -17.415 Base-Backbone interact. energy: -1.080 local terms energy: -46.010340 where: bonds (distance) C4'-P energy: -9.089 bonds (distance) P-C4' energy: -16.052 flat angles C4'-P-C4' energy: -12.423 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: 0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -83.085608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.085608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.085608 (E_RNA) where: Base-Base interactions energy: -31.471 where: short stacking energy: -31.471 Base-Backbone interact. energy: -0.146 local terms energy: -51.468741 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -11.800 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -7.139 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: 6 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -78.658540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.658540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.658540 (E_RNA) where: Base-Base interactions energy: -31.274 where: short stacking energy: -28.000 Base-Backbone interact. energy: -0.218 local terms energy: -47.166533 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -10.826 flat angles C4'-P-C4' energy: -11.681 flat angles P-C4'-P energy: -5.372 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: 2 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -63.887229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.887229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.887229 (E_RNA) where: Base-Base interactions energy: -18.233 where: short stacking energy: -16.875 Base-Backbone interact. energy: -0.009 local terms energy: -45.644391 where: bonds (distance) C4'-P energy: -9.427 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -9.951 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -185.496727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.496727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.496727 (E_RNA) where: Base-Base interactions energy: -115.729 where: short stacking energy: -52.104 Base-Backbone interact. energy: -0.638 local terms energy: -69.128916 where: bonds (distance) C4'-P energy: -14.628 bonds (distance) P-C4' energy: -16.294 flat angles C4'-P-C4' energy: -14.120 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: -16.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -188.590851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.590851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.590851 (E_RNA) where: Base-Base interactions energy: -127.950 where: short stacking energy: -47.620 Base-Backbone interact. energy: -0.310 local terms energy: -60.330908 where: bonds (distance) C4'-P energy: -12.512 bonds (distance) P-C4' energy: -10.870 flat angles C4'-P-C4' energy: -14.069 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: -14.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -170.212886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.212886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.212886 (E_RNA) where: Base-Base interactions energy: -121.156 where: short stacking energy: -47.319 Base-Backbone interact. energy: -0.275 local terms energy: -48.781837 where: bonds (distance) C4'-P energy: -9.367 bonds (distance) P-C4' energy: -11.062 flat angles C4'-P-C4' energy: -10.812 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -10.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -163.628651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.628651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.628651 (E_RNA) where: Base-Base interactions energy: -97.017 where: short stacking energy: -49.109 Base-Backbone interact. energy: -1.746 local terms energy: -64.865079 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -15.309 flat angles C4'-P-C4' energy: -15.991 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -13.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -153.545790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.545790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.545790 (E_RNA) where: Base-Base interactions energy: -95.502 where: short stacking energy: -51.257 Base-Backbone interact. energy: 0.801 local terms energy: -58.845179 where: bonds (distance) C4'-P energy: -15.516 bonds (distance) P-C4' energy: -9.953 flat angles C4'-P-C4' energy: -12.282 flat angles P-C4'-P energy: -9.137 tors. eta vs tors. theta energy: -11.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -99.736930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.736930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.736930 (E_RNA) where: Base-Base interactions energy: -49.892 where: short stacking energy: -31.504 Base-Backbone interact. energy: -0.279 local terms energy: -49.566401 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -8.568 tors. eta vs tors. theta energy: -10.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -86.766968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.766968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.766968 (E_RNA) where: Base-Base interactions energy: -39.760 where: short stacking energy: -22.819 Base-Backbone interact. energy: -0.628 local terms energy: -46.378282 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -13.163 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -4.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -83.335389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.335389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.335389 (E_RNA) where: Base-Base interactions energy: -29.417 where: short stacking energy: -28.251 Base-Backbone interact. energy: -0.624 local terms energy: -53.294225 where: bonds (distance) C4'-P energy: -10.993 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -9.703 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -7.842 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: 409 Temperature: 1.300000 Total energy: -93.754054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.754054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.754054 (E_RNA) where: Base-Base interactions energy: -35.501 where: short stacking energy: -32.009 Base-Backbone interact. energy: -0.548 local terms energy: -57.705319 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -15.717 flat angles C4'-P-C4' energy: -9.740 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -7.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -72.544608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.544608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.544608 (E_RNA) where: Base-Base interactions energy: -29.893 where: short stacking energy: -13.117 Base-Backbone interact. energy: -1.634 local terms energy: -41.017689 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -10.721 flat angles C4'-P-C4' energy: -9.931 flat angles P-C4'-P energy: -8.174 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: 9 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -185.538984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.538984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.538984 (E_RNA) where: Base-Base interactions energy: -127.356 where: short stacking energy: -51.336 Base-Backbone interact. energy: -1.297 local terms energy: -56.886576 where: bonds (distance) C4'-P energy: -13.473 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -5.973 tors. eta vs tors. theta energy: -10.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -192.363147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.363147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.363147 (E_RNA) where: Base-Base interactions energy: -127.148 where: short stacking energy: -55.956 Base-Backbone interact. energy: -0.635 local terms energy: -64.579777 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -13.390 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -7.439 tors. eta vs tors. theta energy: -15.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -168.349002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.349002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.349002 (E_RNA) where: Base-Base interactions energy: -107.051 where: short stacking energy: -57.326 Base-Backbone interact. energy: -0.090 local terms energy: -61.208306 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -15.151 flat angles P-C4'-P energy: -8.631 tors. eta vs tors. theta energy: -12.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -161.898681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.898681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.898681 (E_RNA) where: Base-Base interactions energy: -97.425 where: short stacking energy: -50.957 Base-Backbone interact. energy: -0.416 local terms energy: -64.057471 where: bonds (distance) C4'-P energy: -12.632 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -10.878 flat angles P-C4'-P energy: -9.376 tors. eta vs tors. theta energy: -18.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -156.435617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.435617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.435617 (E_RNA) where: Base-Base interactions energy: -99.551 where: short stacking energy: -43.077 Base-Backbone interact. energy: -1.135 local terms energy: -55.749921 where: bonds (distance) C4'-P energy: -11.782 bonds (distance) P-C4' energy: -12.206 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -12.126 tors. eta vs tors. theta energy: -11.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -105.015706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.015706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.015706 (E_RNA) where: Base-Base interactions energy: -58.907 where: short stacking energy: -43.215 Base-Backbone interact. energy: -1.100 local terms energy: -45.008515 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -10.655 flat angles P-C4'-P energy: -9.853 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: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -84.878351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.878351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.878351 (E_RNA) where: Base-Base interactions energy: -37.561 where: short stacking energy: -32.925 Base-Backbone interact. energy: -0.299 local terms energy: -47.018417 where: bonds (distance) C4'-P energy: -9.323 bonds (distance) P-C4' energy: -13.290 flat angles C4'-P-C4' energy: -13.901 flat angles P-C4'-P energy: -8.298 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -76.685935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.685935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.685935 (E_RNA) where: Base-Base interactions energy: -24.230 where: short stacking energy: -24.230 Base-Backbone interact. energy: -0.080 local terms energy: -52.375348 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -10.206 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -10.812 tors. eta vs tors. theta energy: -6.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -84.913774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.913774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.913774 (E_RNA) where: Base-Base interactions energy: -32.924 where: short stacking energy: -29.356 Base-Backbone interact. energy: -0.153 local terms energy: -51.837360 where: bonds (distance) C4'-P energy: -14.259 bonds (distance) P-C4' energy: -13.313 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -6.749 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: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -103.404058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.404058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.404058 (E_RNA) where: Base-Base interactions energy: -59.584 where: short stacking energy: -27.392 Base-Backbone interact. energy: -0.052 local terms energy: -43.767869 where: bonds (distance) C4'-P energy: -11.273 bonds (distance) P-C4' energy: -10.337 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -185.229134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.229134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.229134 (E_RNA) where: Base-Base interactions energy: -130.009 where: short stacking energy: -53.338 Base-Backbone interact. energy: -0.174 local terms energy: -55.046031 where: bonds (distance) C4'-P energy: -12.544 bonds (distance) P-C4' energy: -8.709 flat angles C4'-P-C4' energy: -13.660 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -16.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -189.369468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.369468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.369468 (E_RNA) where: Base-Base interactions energy: -132.635 where: short stacking energy: -47.429 Base-Backbone interact. energy: -0.617 local terms energy: -56.117881 where: bonds (distance) C4'-P energy: -10.868 bonds (distance) P-C4' energy: -11.985 flat angles C4'-P-C4' energy: -14.713 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -11.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -176.934844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.934844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.934844 (E_RNA) where: Base-Base interactions energy: -112.297 where: short stacking energy: -50.330 Base-Backbone interact. energy: -1.325 local terms energy: -63.312313 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -16.239 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -11.631 tors. eta vs tors. theta energy: -14.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -161.257946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.257946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.257946 (E_RNA) where: Base-Base interactions energy: -98.663 where: short stacking energy: -42.603 Base-Backbone interact. energy: -2.344 local terms energy: -60.251322 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -17.603 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -8.410 tors. eta vs tors. theta energy: -6.659 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: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -162.167983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.167983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.167983 (E_RNA) where: Base-Base interactions energy: -95.927 where: short stacking energy: -51.127 Base-Backbone interact. energy: -0.374 local terms energy: -65.867288 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -15.353 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -8.606 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: 6, replica: 6 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -87.560366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.560366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.560366 (E_RNA) where: Base-Base interactions energy: -31.214 where: short stacking energy: -31.190 Base-Backbone interact. energy: -0.003 local terms energy: -56.343859 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -12.699 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -8.866 tors. eta vs tors. theta energy: -7.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -94.372634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.372634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.372634 (E_RNA) where: Base-Base interactions energy: -49.188 where: short stacking energy: -21.636 Base-Backbone interact. energy: -0.133 local terms energy: -45.050859 where: bonds (distance) C4'-P energy: -8.934 bonds (distance) P-C4' energy: -13.639 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -9.054 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -102.752439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.752439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.752439 (E_RNA) where: Base-Base interactions energy: -57.130 where: short stacking energy: -32.003 Base-Backbone interact. energy: -0.068 local terms energy: -45.554821 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -11.664 flat angles C4'-P-C4' energy: -11.254 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -4.953 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: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -81.185172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.185172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.185172 (E_RNA) where: Base-Base interactions energy: -36.786 where: short stacking energy: -33.224 Base-Backbone interact. energy: -0.141 local terms energy: -44.258183 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -7.483 tors. eta vs tors. theta energy: -3.443 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: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -95.420828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.420828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.420828 (E_RNA) where: Base-Base interactions energy: -49.242 where: short stacking energy: -30.615 Base-Backbone interact. energy: -0.085 local terms energy: -46.094172 where: bonds (distance) C4'-P energy: -9.800 bonds (distance) P-C4' energy: -15.303 flat angles C4'-P-C4' energy: -10.553 flat angles P-C4'-P energy: -6.967 tors. eta vs tors. theta energy: -3.471 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: 412 Temperature: 0.900000 Total energy: -196.505060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.505060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.505060 (E_RNA) where: Base-Base interactions energy: -138.348 where: short stacking energy: -53.428 Base-Backbone interact. energy: -0.144 local terms energy: -58.013192 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -10.828 flat angles C4'-P-C4' energy: -15.342 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -13.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -179.600986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.600986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.600986 (E_RNA) where: Base-Base interactions energy: -120.618 where: short stacking energy: -48.503 Base-Backbone interact. energy: -0.787 local terms energy: -58.195971 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -13.337 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -9.514 tors. eta vs tors. theta energy: -10.035 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: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -172.932830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.932830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.932830 (E_RNA) where: Base-Base interactions energy: -105.249 where: short stacking energy: -51.135 Base-Backbone interact. energy: -0.793 local terms energy: -66.891090 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -11.791 tors. eta vs tors. theta energy: -13.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -159.262051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.262051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.262051 (E_RNA) where: Base-Base interactions energy: -97.832 where: short stacking energy: -51.996 Base-Backbone interact. energy: -0.015 local terms energy: -61.415646 where: bonds (distance) C4'-P energy: -10.429 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -7.931 tors. eta vs tors. theta energy: -15.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -167.323239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.323239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.323239 (E_RNA) where: Base-Base interactions energy: -109.031 where: short stacking energy: -46.417 Base-Backbone interact. energy: -0.673 local terms energy: -57.619041 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -12.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -93.643459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.643459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.643459 (E_RNA) where: Base-Base interactions energy: -46.724 where: short stacking energy: -30.024 Base-Backbone interact. energy: -0.136 local terms energy: -46.783488 where: bonds (distance) C4'-P energy: -10.707 bonds (distance) P-C4' energy: -10.797 flat angles C4'-P-C4' energy: -10.867 flat angles P-C4'-P energy: -9.600 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: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -78.830660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.830660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.830660 (E_RNA) where: Base-Base interactions energy: -36.066 where: short stacking energy: -30.267 Base-Backbone interact. energy: -0.291 local terms energy: -42.473152 where: bonds (distance) C4'-P energy: -10.172 bonds (distance) P-C4' energy: -11.031 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -85.724631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.724631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.724631 (E_RNA) where: Base-Base interactions energy: -55.522 where: short stacking energy: -26.565 Base-Backbone interact. energy: 0.130 local terms energy: -30.333095 where: bonds (distance) C4'-P energy: -9.526 bonds (distance) P-C4' energy: -9.374 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -0.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -76.101422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.101422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.101422 (E_RNA) where: Base-Base interactions energy: -36.660 where: short stacking energy: -17.760 Base-Backbone interact. energy: -0.523 local terms energy: -38.918783 where: bonds (distance) C4'-P energy: -8.575 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -12.142 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -91.170202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.170202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.170202 (E_RNA) where: Base-Base interactions energy: -38.679 where: short stacking energy: -29.497 Base-Backbone interact. energy: -0.109 local terms energy: -52.382249 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -10.287 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -9.895 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: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -189.306595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.306595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.306595 (E_RNA) where: Base-Base interactions energy: -129.823 where: short stacking energy: -54.150 Base-Backbone interact. energy: -0.373 local terms energy: -59.111193 where: bonds (distance) C4'-P energy: -10.466 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -11.945 flat angles P-C4'-P energy: -10.766 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: 2, replica: 9 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -175.305740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.305740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.305740 (E_RNA) where: Base-Base interactions energy: -98.084 where: short stacking energy: -59.414 Base-Backbone interact. energy: -0.030 local terms energy: -77.191321 where: bonds (distance) C4'-P energy: -14.754 bonds (distance) P-C4' energy: -15.464 flat angles C4'-P-C4' energy: -13.107 flat angles P-C4'-P energy: -13.397 tors. eta vs tors. theta energy: -20.468 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: 1 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -171.566866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.566866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.566866 (E_RNA) where: Base-Base interactions energy: -111.974 where: short stacking energy: -51.507 Base-Backbone interact. energy: -1.418 local terms energy: -58.175669 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -6.941 tors. eta vs tors. theta energy: -12.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -169.370609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.370609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.370609 (E_RNA) where: Base-Base interactions energy: -109.869 where: short stacking energy: -51.589 Base-Backbone interact. energy: -0.097 local terms energy: -59.405094 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -13.590 flat angles C4'-P-C4' energy: -8.369 flat angles P-C4'-P energy: -10.865 tors. eta vs tors. theta energy: -13.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -162.987627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.987627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.987627 (E_RNA) where: Base-Base interactions energy: -100.570 where: short stacking energy: -41.280 Base-Backbone interact. energy: -0.074 local terms energy: -62.343040 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -13.154 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -10.665 tors. eta vs tors. theta energy: -11.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -108.232974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.232974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.232974 (E_RNA) where: Base-Base interactions energy: -50.743 where: short stacking energy: -33.714 Base-Backbone interact. energy: 0.347 local terms energy: -57.837721 where: bonds (distance) C4'-P energy: -11.094 bonds (distance) P-C4' energy: -15.592 flat angles C4'-P-C4' energy: -12.143 flat angles P-C4'-P energy: -10.759 tors. eta vs tors. theta energy: -8.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -83.114861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.114861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.114861 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -21.109 Base-Backbone interact. energy: -0.514 local terms energy: -46.518351 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -3.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -76.850161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.850161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.850161 (E_RNA) where: Base-Base interactions energy: -34.569 where: short stacking energy: -33.615 Base-Backbone interact. energy: -0.383 local terms energy: -41.898031 where: bonds (distance) C4'-P energy: -11.628 bonds (distance) P-C4' energy: -12.148 flat angles C4'-P-C4' energy: -10.901 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: 0.848 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: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -84.810923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.810923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.810923 (E_RNA) where: Base-Base interactions energy: -30.696 where: short stacking energy: -26.985 Base-Backbone interact. energy: -0.148 local terms energy: -53.966720 where: bonds (distance) C4'-P energy: -9.923 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -15.516 flat angles P-C4'-P energy: -8.290 tors. eta vs tors. theta energy: -5.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -74.893246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.893246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.893246 (E_RNA) where: Base-Base interactions energy: -24.878 where: short stacking energy: -24.878 Base-Backbone interact. energy: 0.720 local terms energy: -50.735147 where: bonds (distance) C4'-P energy: -15.455 bonds (distance) P-C4' energy: -7.610 flat angles C4'-P-C4' energy: -13.353 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -177.863315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.863315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.863315 (E_RNA) where: Base-Base interactions energy: -111.548 where: short stacking energy: -59.009 Base-Backbone interact. energy: -1.038 local terms energy: -65.278019 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -13.014 flat angles P-C4'-P energy: -8.765 tors. eta vs tors. theta energy: -17.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -171.006733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.006733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.006733 (E_RNA) where: Base-Base interactions energy: -114.349 where: short stacking energy: -42.356 Base-Backbone interact. energy: -0.016 local terms energy: -56.641085 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -15.410 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -9.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -180.274607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.274607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.274607 (E_RNA) where: Base-Base interactions energy: -125.634 where: short stacking energy: -41.730 Base-Backbone interact. energy: -0.317 local terms energy: -54.324020 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -11.331 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -8.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -162.989935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.989935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.989935 (E_RNA) where: Base-Base interactions energy: -96.531 where: short stacking energy: -44.658 Base-Backbone interact. energy: -0.271 local terms energy: -66.188550 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -12.041 tors. eta vs tors. theta energy: -16.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -169.578922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.578922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.578922 (E_RNA) where: Base-Base interactions energy: -114.450 where: short stacking energy: -47.250 Base-Backbone interact. energy: -0.755 local terms energy: -54.373846 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -12.275 flat angles P-C4'-P energy: -8.968 tors. eta vs tors. theta energy: -7.816 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: 2 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -90.567844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.567844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.567844 (E_RNA) where: Base-Base interactions energy: -43.455 where: short stacking energy: -27.899 Base-Backbone interact. energy: -0.238 local terms energy: -46.875585 where: bonds (distance) C4'-P energy: -12.250 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -12.503 tors. eta vs tors. theta energy: 0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -93.439120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.439120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.439120 (E_RNA) where: Base-Base interactions energy: -37.401 where: short stacking energy: -25.376 Base-Backbone interact. energy: -0.004 local terms energy: -56.034378 where: bonds (distance) C4'-P energy: -11.427 bonds (distance) P-C4' energy: -14.577 flat angles C4'-P-C4' energy: -15.630 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -9.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -80.549877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.549877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.549877 (E_RNA) where: Base-Base interactions energy: -31.981 where: short stacking energy: -31.981 Base-Backbone interact. energy: -0.179 local terms energy: -48.389744 where: bonds (distance) C4'-P energy: -9.736 bonds (distance) P-C4' energy: -13.065 flat angles C4'-P-C4' energy: -14.041 flat angles P-C4'-P energy: -6.223 tors. eta vs tors. theta energy: -5.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -109.866066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.866066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.866066 (E_RNA) where: Base-Base interactions energy: -60.676 where: short stacking energy: -32.220 Base-Backbone interact. energy: -0.063 local terms energy: -49.127533 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -12.092 flat angles C4'-P-C4' energy: -13.385 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -6.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -68.452142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.452142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.452142 (E_RNA) where: Base-Base interactions energy: -20.518 where: short stacking energy: -19.600 Base-Backbone interact. energy: -0.015 local terms energy: -47.918929 where: bonds (distance) C4'-P energy: -9.008 bonds (distance) P-C4' energy: -15.604 flat angles C4'-P-C4' energy: -16.086 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -2.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -183.986226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.986226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.986226 (E_RNA) where: Base-Base interactions energy: -118.712 where: short stacking energy: -66.782 Base-Backbone interact. energy: -0.243 local terms energy: -65.030997 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -12.464 flat angles P-C4'-P energy: -10.067 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: 2, replica: 1 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -172.523823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.523823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.523823 (E_RNA) where: Base-Base interactions energy: -118.369 where: short stacking energy: -50.808 Base-Backbone interact. energy: -0.475 local terms energy: -53.679438 where: bonds (distance) C4'-P energy: -10.776 bonds (distance) P-C4' energy: -13.277 flat angles C4'-P-C4' energy: -9.122 flat angles P-C4'-P energy: -9.427 tors. eta vs tors. theta energy: -11.077 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: 3, replica: 4 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -171.922742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.922742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.922742 (E_RNA) where: Base-Base interactions energy: -113.530 where: short stacking energy: -54.482 Base-Backbone interact. energy: -0.784 local terms energy: -57.608213 where: bonds (distance) C4'-P energy: -12.081 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -8.943 tors. eta vs tors. theta energy: -10.498 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: 4, replica: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -184.230195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.230195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.230195 (E_RNA) where: Base-Base interactions energy: -110.562 where: short stacking energy: -52.609 Base-Backbone interact. energy: -1.776 local terms energy: -71.891838 where: bonds (distance) C4'-P energy: -10.198 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -14.759 flat angles P-C4'-P energy: -11.659 tors. eta vs tors. theta energy: -19.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -152.089358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.089358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.089358 (E_RNA) where: Base-Base interactions energy: -92.281 where: short stacking energy: -49.156 Base-Backbone interact. energy: -0.615 local terms energy: -59.193070 where: bonds (distance) C4'-P energy: -14.412 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -11.313 flat angles P-C4'-P energy: -10.353 tors. eta vs tors. theta energy: -7.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -91.478474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.478474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.478474 (E_RNA) where: Base-Base interactions energy: -38.557 where: short stacking energy: -34.515 Base-Backbone interact. energy: -0.076 local terms energy: -52.845636 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -8.978 flat angles C4'-P-C4' energy: -14.470 flat angles P-C4'-P energy: -9.999 tors. eta vs tors. theta energy: -4.991 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: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -104.319777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.319777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.319777 (E_RNA) where: Base-Base interactions energy: -46.995 where: short stacking energy: -45.474 Base-Backbone interact. energy: -0.039 local terms energy: -57.285505 where: bonds (distance) C4'-P energy: -11.082 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -6.616 tors. eta vs tors. theta energy: -13.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -74.238620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.238620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.238620 (E_RNA) where: Base-Base interactions energy: -28.472 where: short stacking energy: -26.586 Base-Backbone interact. energy: 1.413 local terms energy: -47.180260 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -8.506 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -83.245631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.245631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.245631 (E_RNA) where: Base-Base interactions energy: -44.780 where: short stacking energy: -23.788 Base-Backbone interact. energy: 0.136 local terms energy: -38.601577 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -10.897 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -63.150510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.150510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.150510 (E_RNA) where: Base-Base interactions energy: -26.013 where: short stacking energy: -21.579 Base-Backbone interact. energy: -0.173 local terms energy: -36.964404 where: bonds (distance) C4'-P energy: -9.055 bonds (distance) P-C4' energy: -9.290 flat angles C4'-P-C4' energy: -11.657 flat angles P-C4'-P energy: -7.688 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: 1, replica: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -181.606210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.606210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.606210 (E_RNA) where: Base-Base interactions energy: -112.964 where: short stacking energy: -47.009 Base-Backbone interact. energy: -0.574 local terms energy: -68.068112 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -15.518 flat angles P-C4'-P energy: -11.027 tors. eta vs tors. theta energy: -13.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -179.334032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.334032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.334032 (E_RNA) where: Base-Base interactions energy: -112.426 where: short stacking energy: -64.321 Base-Backbone interact. energy: -0.237 local terms energy: -66.671324 where: bonds (distance) C4'-P energy: -12.292 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -11.508 flat angles P-C4'-P energy: -10.454 tors. eta vs tors. theta energy: -16.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -173.029086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.029086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.029086 (E_RNA) where: Base-Base interactions energy: -105.838 where: short stacking energy: -54.236 Base-Backbone interact. energy: -0.743 local terms energy: -66.447687 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -13.039 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -15.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -164.451889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.451889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.451889 (E_RNA) where: Base-Base interactions energy: -106.867 where: short stacking energy: -51.833 Base-Backbone interact. energy: -0.002 local terms energy: -57.583519 where: bonds (distance) C4'-P energy: -11.649 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -9.587 flat angles P-C4'-P energy: -7.396 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: 10 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -163.221294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.221294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.221294 (E_RNA) where: Base-Base interactions energy: -105.391 where: short stacking energy: -53.232 Base-Backbone interact. energy: -0.096 local terms energy: -57.734587 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -15.005 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -11.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -141.028268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.028268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.028268 (E_RNA) where: Base-Base interactions energy: -81.646 where: short stacking energy: -42.521 Base-Backbone interact. energy: -0.142 local terms energy: -59.240025 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -12.114 flat angles C4'-P-C4' energy: -14.908 flat angles P-C4'-P energy: -10.647 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: 8 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -82.973808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.973808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.973808 (E_RNA) where: Base-Base interactions energy: -44.643 where: short stacking energy: -25.316 Base-Backbone interact. energy: -0.583 local terms energy: -37.747291 where: bonds (distance) C4'-P energy: -12.416 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -7.525 tors. eta vs tors. theta energy: 0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -71.751633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.751633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.751633 (E_RNA) where: Base-Base interactions energy: -31.096 where: short stacking energy: -21.021 Base-Backbone interact. energy: 1.328 local terms energy: -41.983226 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -11.915 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -66.255020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.255020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.255020 (E_RNA) where: Base-Base interactions energy: -25.120 where: short stacking energy: -13.778 Base-Backbone interact. energy: 1.737 local terms energy: -42.871760 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -14.944 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: 0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -73.368714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.368714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.368714 (E_RNA) where: Base-Base interactions energy: -18.527 where: short stacking energy: -16.604 Base-Backbone interact. energy: -0.032 local terms energy: -54.809827 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -13.085 flat angles P-C4'-P energy: -7.889 tors. eta vs tors. theta energy: -6.011 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: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -182.327320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.327320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.327320 (E_RNA) where: Base-Base interactions energy: -112.658 where: short stacking energy: -46.178 Base-Backbone interact. energy: -0.385 local terms energy: -69.284607 where: bonds (distance) C4'-P energy: -14.307 bonds (distance) P-C4' energy: -16.671 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -13.523 tors. eta vs tors. theta energy: -11.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -172.286874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.286874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.286874 (E_RNA) where: Base-Base interactions energy: -105.386 where: short stacking energy: -45.960 Base-Backbone interact. energy: -0.254 local terms energy: -66.646982 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -8.049 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: 3, replica: 9 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -161.375999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.375999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.375999 (E_RNA) where: Base-Base interactions energy: -96.208 where: short stacking energy: -50.767 Base-Backbone interact. energy: -0.076 local terms energy: -65.091471 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -15.172 flat angles P-C4'-P energy: -7.623 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: 4, replica: 10 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -169.511953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.511953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.511953 (E_RNA) where: Base-Base interactions energy: -109.617 where: short stacking energy: -51.930 Base-Backbone interact. energy: -0.082 local terms energy: -59.812537 where: bonds (distance) C4'-P energy: -8.988 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -7.844 tors. eta vs tors. theta energy: -15.655 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: 5, replica: 3 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -165.949532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.949532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.949532 (E_RNA) where: Base-Base interactions energy: -105.277 where: short stacking energy: -59.085 Base-Backbone interact. energy: 0.773 local terms energy: -61.446315 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -13.055 flat angles P-C4'-P energy: -6.901 tors. eta vs tors. theta energy: -17.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -142.419866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.419866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.419866 (E_RNA) where: Base-Base interactions energy: -84.055 where: short stacking energy: -36.928 Base-Backbone interact. energy: -0.610 local terms energy: -57.755112 where: bonds (distance) C4'-P energy: -11.320 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -11.165 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -9.388 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: 7, replica: 8 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -87.286990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.286990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.286990 (E_RNA) where: Base-Base interactions energy: -33.524 where: short stacking energy: -32.990 Base-Backbone interact. energy: -0.038 local terms energy: -53.724424 where: bonds (distance) C4'-P energy: -13.770 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -6.489 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: 8, replica: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -78.787318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.787318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.787318 (E_RNA) where: Base-Base interactions energy: -27.763 where: short stacking energy: -22.074 Base-Backbone interact. energy: -0.146 local terms energy: -50.877674 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -17.151 flat angles C4'-P-C4' energy: -9.458 flat angles P-C4'-P energy: -10.824 tors. eta vs tors. theta energy: -0.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -68.417799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.417799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.417799 (E_RNA) where: Base-Base interactions energy: -25.999 where: short stacking energy: -21.120 Base-Backbone interact. energy: -0.290 local terms energy: -42.128652 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -7.984 tors. eta vs tors. theta energy: 1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -73.448120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.448120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.448120 (E_RNA) where: Base-Base interactions energy: -33.515 where: short stacking energy: -27.921 Base-Backbone interact. energy: -0.137 local terms energy: -39.796560 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -10.262 flat angles P-C4'-P energy: -5.302 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -172.921271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.921271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.921271 (E_RNA) where: Base-Base interactions energy: -110.213 where: short stacking energy: -55.212 Base-Backbone interact. energy: -0.183 local terms energy: -62.525470 where: bonds (distance) C4'-P energy: -15.199 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -7.796 tors. eta vs tors. theta energy: -12.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -185.203469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.203469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.203469 (E_RNA) where: Base-Base interactions energy: -121.590 where: short stacking energy: -46.356 Base-Backbone interact. energy: -1.917 local terms energy: -61.696785 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -13.414 flat angles C4'-P-C4' energy: -15.548 flat angles P-C4'-P energy: -9.635 tors. eta vs tors. theta energy: -9.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -165.733233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.733233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.733233 (E_RNA) where: Base-Base interactions energy: -98.754 where: short stacking energy: -54.514 Base-Backbone interact. energy: -0.052 local terms energy: -66.927274 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -16.467 flat angles P-C4'-P energy: -7.293 tors. eta vs tors. theta energy: -14.949 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: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -154.755943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.755943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.755943 (E_RNA) where: Base-Base interactions energy: -94.709 where: short stacking energy: -50.122 Base-Backbone interact. energy: -0.813 local terms energy: -59.233402 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -14.748 flat angles C4'-P-C4' energy: -9.300 flat angles P-C4'-P energy: -9.439 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: 5, replica: 2 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -151.745213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.745213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.745213 (E_RNA) where: Base-Base interactions energy: -91.318 where: short stacking energy: -39.742 Base-Backbone interact. energy: -0.521 local terms energy: -59.905629 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -15.009 flat angles P-C4'-P energy: -8.008 tors. eta vs tors. theta energy: -11.862 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: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -142.381661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.381661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.381661 (E_RNA) where: Base-Base interactions energy: -86.971 where: short stacking energy: -47.115 Base-Backbone interact. energy: -0.921 local terms energy: -54.489634 where: bonds (distance) C4'-P energy: -11.837 bonds (distance) P-C4' energy: -11.055 flat angles C4'-P-C4' energy: -11.268 flat angles P-C4'-P energy: -8.191 tors. eta vs tors. theta energy: -12.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -79.609119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.609119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.609119 (E_RNA) where: Base-Base interactions energy: -28.403 where: short stacking energy: -25.511 Base-Backbone interact. energy: -0.269 local terms energy: -50.937670 where: bonds (distance) C4'-P energy: -15.172 bonds (distance) P-C4' energy: -14.746 flat angles C4'-P-C4' energy: -11.243 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -112.918897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.918897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.918897 (E_RNA) where: Base-Base interactions energy: -65.413 where: short stacking energy: -37.820 Base-Backbone interact. energy: -0.124 local terms energy: -47.381977 where: bonds (distance) C4'-P energy: -9.332 bonds (distance) P-C4' energy: -11.892 flat angles C4'-P-C4' energy: -10.321 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -10.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -82.671080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.671080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.671080 (E_RNA) where: Base-Base interactions energy: -39.733 where: short stacking energy: -27.378 Base-Backbone interact. energy: -0.293 local terms energy: -42.644985 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -15.159 flat angles C4'-P-C4' energy: -11.829 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -5.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -71.951553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.951553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.951553 (E_RNA) where: Base-Base interactions energy: -24.848 where: short stacking energy: -24.709 Base-Backbone interact. energy: -0.217 local terms energy: -46.886809 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -9.891 flat angles P-C4'-P energy: -7.505 tors. eta vs tors. theta energy: 0.272 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: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -181.710613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.710613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.710613 (E_RNA) where: Base-Base interactions energy: -111.443 where: short stacking energy: -53.964 Base-Backbone interact. energy: -0.816 local terms energy: -69.451901 where: bonds (distance) C4'-P energy: -15.529 bonds (distance) P-C4' energy: -13.626 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -8.231 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: 2, replica: 1 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -189.423929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.423929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.423929 (E_RNA) where: Base-Base interactions energy: -131.006 where: short stacking energy: -42.779 Base-Backbone interact. energy: -0.543 local terms energy: -57.874412 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -4.963 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: 3, replica: 10 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -173.569822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.569822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.569822 (E_RNA) where: Base-Base interactions energy: -103.594 where: short stacking energy: -57.073 Base-Backbone interact. energy: -1.121 local terms energy: -68.854380 where: bonds (distance) C4'-P energy: -15.889 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -16.073 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -14.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -170.751920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.751920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.751920 (E_RNA) where: Base-Base interactions energy: -100.430 where: short stacking energy: -47.068 Base-Backbone interact. energy: -0.002 local terms energy: -70.319710 where: bonds (distance) C4'-P energy: -13.824 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -12.532 flat angles P-C4'-P energy: -11.247 tors. eta vs tors. theta energy: -16.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -160.570926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.570926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.570926 (E_RNA) where: Base-Base interactions energy: -97.218 where: short stacking energy: -45.836 Base-Backbone interact. energy: -0.012 local terms energy: -63.341412 where: bonds (distance) C4'-P energy: -10.591 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -9.607 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: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -162.987813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.987813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.987813 (E_RNA) where: Base-Base interactions energy: -107.812 where: short stacking energy: -41.156 Base-Backbone interact. energy: -0.553 local terms energy: -54.623454 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -12.247 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -11.686 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: 5 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -79.695231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.695231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.695231 (E_RNA) where: Base-Base interactions energy: -38.248 where: short stacking energy: -38.248 Base-Backbone interact. energy: -0.075 local terms energy: -41.371821 where: bonds (distance) C4'-P energy: -4.920 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -8.081 tors. eta vs tors. theta energy: -10.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -78.910088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.910088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.910088 (E_RNA) where: Base-Base interactions energy: -44.652 where: short stacking energy: -25.195 Base-Backbone interact. energy: -0.080 local terms energy: -34.178276 where: bonds (distance) C4'-P energy: -11.095 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -8.806 flat angles P-C4'-P energy: 1.885 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -67.122294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.122294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.122294 (E_RNA) where: Base-Base interactions energy: -24.639 where: short stacking energy: -14.818 Base-Backbone interact. energy: -0.138 local terms energy: -42.345124 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -10.777 flat angles P-C4'-P energy: -11.504 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: 10, replica: 6 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -66.775994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.775994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.775994 (E_RNA) where: Base-Base interactions energy: -28.964 where: short stacking energy: -29.664 Base-Backbone interact. energy: -0.108 local terms energy: -37.704455 where: bonds (distance) C4'-P energy: -10.024 bonds (distance) P-C4' energy: -11.373 flat angles C4'-P-C4' energy: -11.375 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -188.026382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.026382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.026382 (E_RNA) where: Base-Base interactions energy: -125.440 where: short stacking energy: -52.393 Base-Backbone interact. energy: -0.142 local terms energy: -62.444269 where: bonds (distance) C4'-P energy: -14.731 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -12.967 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: -17.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -174.868929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.868929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.868929 (E_RNA) where: Base-Base interactions energy: -119.749 where: short stacking energy: -58.052 Base-Backbone interact. energy: -0.810 local terms energy: -54.310068 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -12.302 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -7.377 tors. eta vs tors. theta energy: -11.810 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: 420 Temperature: 1.000000 Total energy: -176.798044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.798044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.798044 (E_RNA) where: Base-Base interactions energy: -110.755 where: short stacking energy: -55.647 Base-Backbone interact. energy: -0.400 local terms energy: -65.643442 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -14.406 flat angles P-C4'-P energy: -10.226 tors. eta vs tors. theta energy: -14.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -162.549693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.549693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.549693 (E_RNA) where: Base-Base interactions energy: -98.578 where: short stacking energy: -53.746 Base-Backbone interact. energy: -0.025 local terms energy: -63.947351 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -13.397 flat angles P-C4'-P energy: -10.351 tors. eta vs tors. theta energy: -12.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -156.728873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.728873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.728873 (E_RNA) where: Base-Base interactions energy: -100.615 where: short stacking energy: -49.038 Base-Backbone interact. energy: 0.203 local terms energy: -56.317602 where: bonds (distance) C4'-P energy: -14.428 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -12.070 flat angles P-C4'-P energy: -5.095 tors. eta vs tors. theta energy: -9.593 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: 420 Temperature: 1.150000 Total energy: -148.799231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.799231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.799231 (E_RNA) where: Base-Base interactions energy: -91.824 where: short stacking energy: -45.538 Base-Backbone interact. energy: 1.435 local terms energy: -58.409743 where: bonds (distance) C4'-P energy: -11.941 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -11.440 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -12.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -82.090746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.090746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.090746 (E_RNA) where: Base-Base interactions energy: -29.273 where: short stacking energy: -28.850 Base-Backbone interact. energy: -0.053 local terms energy: -52.765474 where: bonds (distance) C4'-P energy: -15.082 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -11.640 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -5.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -83.732858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.732858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.732858 (E_RNA) where: Base-Base interactions energy: -32.902 where: short stacking energy: -24.004 Base-Backbone interact. energy: -0.266 local terms energy: -50.564130 where: bonds (distance) C4'-P energy: -15.264 bonds (distance) P-C4' energy: -10.339 flat angles C4'-P-C4' energy: -11.588 flat angles P-C4'-P energy: -9.993 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -73.317367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.317367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.317367 (E_RNA) where: Base-Base interactions energy: -31.033 where: short stacking energy: -30.763 Base-Backbone interact. energy: -0.136 local terms energy: -42.148351 where: bonds (distance) C4'-P energy: -10.433 bonds (distance) P-C4' energy: -9.503 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -6.791 tors. eta vs tors. theta energy: -1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -66.056458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.056458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.056458 (E_RNA) where: Base-Base interactions energy: -21.277 where: short stacking energy: -21.268 Base-Backbone interact. energy: -0.099 local terms energy: -44.679795 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: 0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -185.417124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.417124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.417124 (E_RNA) where: Base-Base interactions energy: -113.570 where: short stacking energy: -61.999 Base-Backbone interact. energy: -0.019 local terms energy: -71.827968 where: bonds (distance) C4'-P energy: -10.629 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -15.048 flat angles P-C4'-P energy: -11.544 tors. eta vs tors. theta energy: -18.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -174.841187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.841187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.841187 (E_RNA) where: Base-Base interactions energy: -106.068 where: short stacking energy: -47.201 Base-Backbone interact. energy: -0.374 local terms energy: -68.398621 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -15.493 flat angles P-C4'-P energy: -11.068 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: 3, replica: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -170.588593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.588593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.588593 (E_RNA) where: Base-Base interactions energy: -105.861 where: short stacking energy: -52.710 Base-Backbone interact. energy: -0.993 local terms energy: -63.734707 where: bonds (distance) C4'-P energy: -15.669 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -12.727 flat angles P-C4'-P energy: -7.044 tors. eta vs tors. theta energy: -14.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -152.830883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.830883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.830883 (E_RNA) where: Base-Base interactions energy: -96.332 where: short stacking energy: -49.704 Base-Backbone interact. energy: -0.120 local terms energy: -56.379043 where: bonds (distance) C4'-P energy: -10.143 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -12.418 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -10.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -156.445648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.445648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.445648 (E_RNA) where: Base-Base interactions energy: -94.911 where: short stacking energy: -53.852 Base-Backbone interact. energy: 0.404 local terms energy: -61.938644 where: bonds (distance) C4'-P energy: -14.197 bonds (distance) P-C4' energy: -10.175 flat angles C4'-P-C4' energy: -13.933 flat angles P-C4'-P energy: -7.370 tors. eta vs tors. theta energy: -16.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -158.940359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.940359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.940359 (E_RNA) where: Base-Base interactions energy: -102.629 where: short stacking energy: -43.247 Base-Backbone interact. energy: -0.025 local terms energy: -56.286494 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -9.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -87.450140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.450140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.450140 (E_RNA) where: Base-Base interactions energy: -36.666 where: short stacking energy: -36.666 Base-Backbone interact. energy: -0.038 local terms energy: -50.746897 where: bonds (distance) C4'-P energy: -8.818 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -13.310 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -11.055 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: 8, replica: 8 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -69.565574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.565574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.565574 (E_RNA) where: Base-Base interactions energy: -26.954 where: short stacking energy: -22.018 Base-Backbone interact. energy: 0.190 local terms energy: -42.801161 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -10.655 flat angles C4'-P-C4' energy: -14.639 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -1.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -82.158428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.158428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.158428 (E_RNA) where: Base-Base interactions energy: -35.750 where: short stacking energy: -23.654 Base-Backbone interact. energy: -0.196 local terms energy: -46.211898 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -10.182 flat angles P-C4'-P energy: -8.337 tors. eta vs tors. theta energy: 0.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -119.717765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.717765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.717765 (E_RNA) where: Base-Base interactions energy: -69.245 where: short stacking energy: -39.926 Base-Backbone interact. energy: 1.107 local terms energy: -51.579305 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -12.073 flat angles C4'-P-C4' energy: -13.633 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -7.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -178.531524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.531524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.531524 (E_RNA) where: Base-Base interactions energy: -116.210 where: short stacking energy: -51.381 Base-Backbone interact. energy: -1.003 local terms energy: -61.318878 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -12.957 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -10.913 tors. eta vs tors. theta energy: -14.484 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: 1 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -183.530249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.530249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.530249 (E_RNA) where: Base-Base interactions energy: -115.206 where: short stacking energy: -62.045 Base-Backbone interact. energy: -0.001 local terms energy: -68.323215 where: bonds (distance) C4'-P energy: -11.825 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -13.193 flat angles P-C4'-P energy: -9.145 tors. eta vs tors. theta energy: -19.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -153.728238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.728238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.728238 (E_RNA) where: Base-Base interactions energy: -96.768 where: short stacking energy: -44.451 Base-Backbone interact. energy: -0.171 local terms energy: -56.789821 where: bonds (distance) C4'-P energy: -12.466 bonds (distance) P-C4' energy: -15.102 flat angles C4'-P-C4' energy: -13.888 flat angles P-C4'-P energy: -7.783 tors. eta vs tors. theta energy: -7.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -186.483491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.483491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.483491 (E_RNA) where: Base-Base interactions energy: -117.660 where: short stacking energy: -62.904 Base-Backbone interact. energy: -0.365 local terms energy: -68.458403 where: bonds (distance) C4'-P energy: -14.319 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -14.575 flat angles P-C4'-P energy: -8.708 tors. eta vs tors. theta energy: -17.458 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: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -166.585676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.585676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.585676 (E_RNA) where: Base-Base interactions energy: -110.417 where: short stacking energy: -45.432 Base-Backbone interact. energy: -0.483 local terms energy: -55.685581 where: bonds (distance) C4'-P energy: -9.577 bonds (distance) P-C4' energy: -12.329 flat angles C4'-P-C4' energy: -16.673 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -10.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -153.638626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.638626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.638626 (E_RNA) where: Base-Base interactions energy: -101.120 where: short stacking energy: -40.187 Base-Backbone interact. energy: -0.603 local terms energy: -51.916016 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -11.900 flat angles P-C4'-P energy: -2.914 tors. eta vs tors. theta energy: -10.554 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: 8 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -89.573326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.573326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.573326 (E_RNA) where: Base-Base interactions energy: -39.909 where: short stacking energy: -28.460 Base-Backbone interact. energy: -0.177 local terms energy: -49.487732 where: bonds (distance) C4'-P energy: -9.526 bonds (distance) P-C4' energy: -12.169 flat angles C4'-P-C4' energy: -14.695 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -4.460 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: 422 Temperature: 1.250000 Total energy: -78.599786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.599786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.599786 (E_RNA) where: Base-Base interactions energy: -31.507 where: short stacking energy: -27.500 Base-Backbone interact. energy: -0.016 local terms energy: -47.076609 where: bonds (distance) C4'-P energy: -7.606 bonds (distance) P-C4' energy: -12.012 flat angles C4'-P-C4' energy: -15.008 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -77.954771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.954771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.954771 (E_RNA) where: Base-Base interactions energy: -25.495 where: short stacking energy: -16.110 Base-Backbone interact. energy: -0.093 local terms energy: -52.367324 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -11.635 flat angles P-C4'-P energy: -7.783 tors. eta vs tors. theta energy: -6.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -70.210355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.210355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.210355 (E_RNA) where: Base-Base interactions energy: -28.598 where: short stacking energy: -26.192 Base-Backbone interact. energy: -0.045 local terms energy: -41.567520 where: bonds (distance) C4'-P energy: -9.278 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -1.545 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -7.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -186.648016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.648016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.648016 (E_RNA) where: Base-Base interactions energy: -115.749 where: short stacking energy: -55.115 Base-Backbone interact. energy: -1.276 local terms energy: -69.623605 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -16.314 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: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -182.017049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.017049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.017049 (E_RNA) where: Base-Base interactions energy: -116.273 where: short stacking energy: -53.320 Base-Backbone interact. energy: -0.733 local terms energy: -65.010385 where: bonds (distance) C4'-P energy: -12.706 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -13.028 flat angles P-C4'-P energy: -7.324 tors. eta vs tors. theta energy: -15.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -174.121119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.121119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.121119 (E_RNA) where: Base-Base interactions energy: -110.401 where: short stacking energy: -53.197 Base-Backbone interact. energy: -0.007 local terms energy: -63.713222 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -7.763 tors. eta vs tors. theta energy: -13.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -149.526060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.526060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.526060 (E_RNA) where: Base-Base interactions energy: -84.867 where: short stacking energy: -39.910 Base-Backbone interact. energy: -0.553 local terms energy: -64.105208 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -14.758 flat angles C4'-P-C4' energy: -14.367 flat angles P-C4'-P energy: -13.186 tors. eta vs tors. theta energy: -7.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -157.422350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.422350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.422350 (E_RNA) where: Base-Base interactions energy: -97.016 where: short stacking energy: -47.278 Base-Backbone interact. energy: -0.254 local terms energy: -60.152317 where: bonds (distance) C4'-P energy: -11.857 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -10.518 flat angles P-C4'-P energy: -8.980 tors. eta vs tors. theta energy: -13.521 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: 9 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -148.617189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.617189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.617189 (E_RNA) where: Base-Base interactions energy: -90.732 where: short stacking energy: -47.847 Base-Backbone interact. energy: -0.020 local terms energy: -57.865107 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -12.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -84.083459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.083459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.083459 (E_RNA) where: Base-Base interactions energy: -25.731 where: short stacking energy: -25.731 Base-Backbone interact. energy: -0.450 local terms energy: -57.901787 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -14.602 flat angles C4'-P-C4' energy: -15.277 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -4.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -80.421185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.421185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.421185 (E_RNA) where: Base-Base interactions energy: -33.953 where: short stacking energy: -33.953 Base-Backbone interact. energy: 0.032 local terms energy: -46.500140 where: bonds (distance) C4'-P energy: -11.419 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -9.732 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -4.025 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: 6 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -78.311811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.311811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.311811 (E_RNA) where: Base-Base interactions energy: -31.683 where: short stacking energy: -23.177 Base-Backbone interact. energy: -0.002 local terms energy: -46.626632 where: bonds (distance) C4'-P energy: -13.162 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -9.335 flat angles P-C4'-P energy: -7.530 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: 10, replica: 5 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -64.374098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.374098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.374098 (E_RNA) where: Base-Base interactions energy: -19.170 where: short stacking energy: -14.471 Base-Backbone interact. energy: -0.218 local terms energy: -44.985422 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -10.302 tors. eta vs tors. theta energy: -0.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -190.592245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.592245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.592245 (E_RNA) where: Base-Base interactions energy: -115.952 where: short stacking energy: -56.949 Base-Backbone interact. energy: -0.126 local terms energy: -74.514089 where: bonds (distance) C4'-P energy: -15.653 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -15.777 flat angles P-C4'-P energy: -8.627 tors. eta vs tors. theta energy: -18.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -173.849854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.849854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.849854 (E_RNA) where: Base-Base interactions energy: -116.558 where: short stacking energy: -47.826 Base-Backbone interact. energy: -0.654 local terms energy: -56.638221 where: bonds (distance) C4'-P energy: -11.730 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -12.577 flat angles P-C4'-P energy: -8.051 tors. eta vs tors. theta energy: -9.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -169.369546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.369546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.369546 (E_RNA) where: Base-Base interactions energy: -105.097 where: short stacking energy: -54.571 Base-Backbone interact. energy: 0.829 local terms energy: -65.102063 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -13.767 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -6.884 tors. eta vs tors. theta energy: -14.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -149.732095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.732095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.732095 (E_RNA) where: Base-Base interactions energy: -86.509 where: short stacking energy: -45.431 Base-Backbone interact. energy: -1.000 local terms energy: -62.223026 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -8.786 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: 5, replica: 9 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -149.241120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.241120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.241120 (E_RNA) where: Base-Base interactions energy: -95.783 where: short stacking energy: -38.088 Base-Backbone interact. energy: -0.542 local terms energy: -52.915808 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -10.204 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -11.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -148.968780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.968780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.968780 (E_RNA) where: Base-Base interactions energy: -85.628 where: short stacking energy: -43.719 Base-Backbone interact. energy: -0.096 local terms energy: -63.245233 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -10.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -89.443494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.443494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.443494 (E_RNA) where: Base-Base interactions energy: -40.544 where: short stacking energy: -22.739 Base-Backbone interact. energy: 1.696 local terms energy: -50.595918 where: bonds (distance) C4'-P energy: -15.803 bonds (distance) P-C4' energy: -10.349 flat angles C4'-P-C4' energy: -15.619 flat angles P-C4'-P energy: -8.234 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: 8, replica: 8 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -85.172501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.172501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.172501 (E_RNA) where: Base-Base interactions energy: -32.378 where: short stacking energy: -26.888 Base-Backbone interact. energy: -0.251 local terms energy: -52.543580 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -11.827 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -1.988 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: 6 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -72.473159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.473159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.473159 (E_RNA) where: Base-Base interactions energy: -25.910 where: short stacking energy: -18.807 Base-Backbone interact. energy: 0.043 local terms energy: -46.606241 where: bonds (distance) C4'-P energy: -9.826 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -11.355 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -5.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -61.817691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.817691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.817691 (E_RNA) where: Base-Base interactions energy: -18.167 where: short stacking energy: -13.929 Base-Backbone interact. energy: -0.297 local terms energy: -43.353349 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -11.222 flat angles C4'-P-C4' energy: -12.480 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: 1.537 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: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -181.051812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.051812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.051812 (E_RNA) where: Base-Base interactions energy: -104.179 where: short stacking energy: -58.514 Base-Backbone interact. energy: -0.787 local terms energy: -76.085979 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -16.024 flat angles P-C4'-P energy: -12.187 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: 2, replica: 2 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -178.570195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.570195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.570195 (E_RNA) where: Base-Base interactions energy: -114.919 where: short stacking energy: -52.924 Base-Backbone interact. energy: -0.236 local terms energy: -63.414438 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -13.226 flat angles P-C4'-P energy: -10.097 tors. eta vs tors. theta energy: -14.982 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: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -172.079087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.079087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.079087 (E_RNA) where: Base-Base interactions energy: -110.323 where: short stacking energy: -43.187 Base-Backbone interact. energy: -1.122 local terms energy: -60.633799 where: bonds (distance) C4'-P energy: -12.384 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -7.875 tors. eta vs tors. theta energy: -10.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -156.751072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.751072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.751072 (E_RNA) where: Base-Base interactions energy: -100.617 where: short stacking energy: -41.902 Base-Backbone interact. energy: -0.727 local terms energy: -55.406977 where: bonds (distance) C4'-P energy: -14.883 bonds (distance) P-C4' energy: -9.393 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -10.113 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: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -161.443280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.443280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.443280 (E_RNA) where: Base-Base interactions energy: -93.069 where: short stacking energy: -51.982 Base-Backbone interact. energy: -0.013 local terms energy: -68.360898 where: bonds (distance) C4'-P energy: -16.022 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -15.005 flat angles P-C4'-P energy: -7.962 tors. eta vs tors. theta energy: -13.860 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: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -148.390038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.390038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.390038 (E_RNA) where: Base-Base interactions energy: -98.425 where: short stacking energy: -42.779 Base-Backbone interact. energy: -0.230 local terms energy: -49.734948 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -11.291 flat angles C4'-P-C4' energy: -10.805 flat angles P-C4'-P energy: -7.138 tors. eta vs tors. theta energy: -7.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -129.459390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.459390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.459390 (E_RNA) where: Base-Base interactions energy: -80.700 where: short stacking energy: -24.304 Base-Backbone interact. energy: -0.161 local terms energy: -48.598537 where: bonds (distance) C4'-P energy: -6.463 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -4.213 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: 6 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -82.342233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.342233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.342233 (E_RNA) where: Base-Base interactions energy: -39.999 where: short stacking energy: -31.320 Base-Backbone interact. energy: -0.022 local terms energy: -42.321500 where: bonds (distance) C4'-P energy: -10.521 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -70.335586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.335586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.335586 (E_RNA) where: Base-Base interactions energy: -21.911 where: short stacking energy: -15.493 Base-Backbone interact. energy: -0.506 local terms energy: -47.917689 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -12.870 flat angles P-C4'-P energy: -6.692 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -66.674506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.674506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.674506 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -31.069 Base-Backbone interact. energy: -0.469 local terms energy: -34.036796 where: bonds (distance) C4'-P energy: -10.854 bonds (distance) P-C4' energy: -10.253 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -6.837 tors. eta vs tors. theta energy: -1.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -179.529726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.529726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.529726 (E_RNA) where: Base-Base interactions energy: -116.916 where: short stacking energy: -46.407 Base-Backbone interact. energy: -0.644 local terms energy: -61.969148 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -16.217 flat angles C4'-P-C4' energy: -16.569 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -10.776 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: 426 Temperature: 0.950000 Total energy: -163.874499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.874499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.874499 (E_RNA) where: Base-Base interactions energy: -102.120 where: short stacking energy: -41.537 Base-Backbone interact. energy: -0.124 local terms energy: -61.630444 where: bonds (distance) C4'-P energy: -12.822 bonds (distance) P-C4' energy: -14.102 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -12.332 tors. eta vs tors. theta energy: -7.867 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: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -173.894470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.894470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.894470 (E_RNA) where: Base-Base interactions energy: -110.549 where: short stacking energy: -53.920 Base-Backbone interact. energy: 0.047 local terms energy: -63.392830 where: bonds (distance) C4'-P energy: -10.495 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -16.641 flat angles P-C4'-P energy: -12.052 tors. eta vs tors. theta energy: -11.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -182.239061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.239061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.239061 (E_RNA) where: Base-Base interactions energy: -124.604 where: short stacking energy: -44.102 Base-Backbone interact. energy: -0.175 local terms energy: -57.460504 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -11.106 flat angles P-C4'-P energy: -7.586 tors. eta vs tors. theta energy: -12.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -166.446011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.446011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.446011 (E_RNA) where: Base-Base interactions energy: -103.634 where: short stacking energy: -50.358 Base-Backbone interact. energy: -0.477 local terms energy: -62.334534 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -12.685 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -8.630 tors. eta vs tors. theta energy: -14.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -159.842078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.842078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.842078 (E_RNA) where: Base-Base interactions energy: -104.465 where: short stacking energy: -46.368 Base-Backbone interact. energy: -0.280 local terms energy: -55.096832 where: bonds (distance) C4'-P energy: -9.958 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -9.926 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -11.618 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: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -117.847012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.847012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.847012 (E_RNA) where: Base-Base interactions energy: -68.663 where: short stacking energy: -33.757 Base-Backbone interact. energy: -0.192 local terms energy: -48.991332 where: bonds (distance) C4'-P energy: -10.685 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -8.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -130.523505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.523505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.523505 (E_RNA) where: Base-Base interactions energy: -81.140 where: short stacking energy: -42.752 Base-Backbone interact. energy: -0.484 local terms energy: -48.899227 where: bonds (distance) C4'-P energy: -11.521 bonds (distance) P-C4' energy: -12.786 flat angles C4'-P-C4' energy: -9.391 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -9.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -85.189382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.189382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.189382 (E_RNA) where: Base-Base interactions energy: -36.651 where: short stacking energy: -29.408 Base-Backbone interact. energy: -0.034 local terms energy: -48.504493 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -14.198 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -7.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -72.625748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.625748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.625748 (E_RNA) where: Base-Base interactions energy: -26.415 where: short stacking energy: -11.717 Base-Backbone interact. energy: -0.956 local terms energy: -45.254379 where: bonds (distance) C4'-P energy: -12.165 bonds (distance) P-C4' energy: -12.392 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -10.666 tors. eta vs tors. theta energy: 1.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -188.653494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.653494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.653494 (E_RNA) where: Base-Base interactions energy: -119.313 where: short stacking energy: -55.638 Base-Backbone interact. energy: -0.318 local terms energy: -69.022798 where: bonds (distance) C4'-P energy: -14.937 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -10.749 tors. eta vs tors. theta energy: -16.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -180.733318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.733318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.733318 (E_RNA) where: Base-Base interactions energy: -110.028 where: short stacking energy: -56.351 Base-Backbone interact. energy: -0.385 local terms energy: -70.321042 where: bonds (distance) C4'-P energy: -15.777 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -13.508 flat angles P-C4'-P energy: -10.494 tors. eta vs tors. theta energy: -16.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -170.671908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.671908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.671908 (E_RNA) where: Base-Base interactions energy: -105.917 where: short stacking energy: -52.502 Base-Backbone interact. energy: 1.651 local terms energy: -66.405949 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -14.488 flat angles C4'-P-C4' energy: -15.911 flat angles P-C4'-P energy: -8.592 tors. eta vs tors. theta energy: -11.823 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: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -172.343815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.343815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.343815 (E_RNA) where: Base-Base interactions energy: -106.893 where: short stacking energy: -63.515 Base-Backbone interact. energy: -0.009 local terms energy: -65.441448 where: bonds (distance) C4'-P energy: -9.949 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -13.564 flat angles P-C4'-P energy: -9.198 tors. eta vs tors. theta energy: -17.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -166.876530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.876530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.876530 (E_RNA) where: Base-Base interactions energy: -121.022 where: short stacking energy: -43.890 Base-Backbone interact. energy: -0.364 local terms energy: -45.490287 where: bonds (distance) C4'-P energy: -13.053 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: 0.210 tors. eta vs tors. theta energy: -10.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -143.719322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.719322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.719322 (E_RNA) where: Base-Base interactions energy: -98.267 where: short stacking energy: -41.797 Base-Backbone interact. energy: 0.291 local terms energy: -45.742945 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -10.081 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -8.941 tors. eta vs tors. theta energy: -6.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -88.137911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.137911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.137911 (E_RNA) where: Base-Base interactions energy: -41.058 where: short stacking energy: -33.479 Base-Backbone interact. energy: -0.124 local terms energy: -46.956006 where: bonds (distance) C4'-P energy: -10.019 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -5.106 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: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -108.296292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.296292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.296292 (E_RNA) where: Base-Base interactions energy: -57.775 where: short stacking energy: -29.002 Base-Backbone interact. energy: -0.155 local terms energy: -50.366849 where: bonds (distance) C4'-P energy: -14.370 bonds (distance) P-C4' energy: -12.882 flat angles C4'-P-C4' energy: -9.804 flat angles P-C4'-P energy: -10.806 tors. eta vs tors. theta energy: -2.505 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: 427 Temperature: 1.300000 Total energy: -74.375300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.375300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.375300 (E_RNA) where: Base-Base interactions energy: -28.553 where: short stacking energy: -28.553 Base-Backbone interact. energy: -0.061 local terms energy: -45.760883 where: bonds (distance) C4'-P energy: -9.844 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -8.587 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -6.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -73.584550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.584550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.584550 (E_RNA) where: Base-Base interactions energy: -34.678 where: short stacking energy: -25.376 Base-Backbone interact. energy: -0.009 local terms energy: -38.897244 where: bonds (distance) C4'-P energy: -10.603 bonds (distance) P-C4' energy: -12.516 flat angles C4'-P-C4' energy: -10.411 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: 2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -185.205398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.205398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.205398 (E_RNA) where: Base-Base interactions energy: -115.519 where: short stacking energy: -58.360 Base-Backbone interact. energy: -0.107 local terms energy: -69.578535 where: bonds (distance) C4'-P energy: -13.853 bonds (distance) P-C4' energy: -12.757 flat angles C4'-P-C4' energy: -17.228 flat angles P-C4'-P energy: -8.125 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: 2, replica: 2 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -174.128423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.128423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.128423 (E_RNA) where: Base-Base interactions energy: -105.873 where: short stacking energy: -51.781 Base-Backbone interact. energy: -0.456 local terms energy: -67.799518 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -13.230 flat angles C4'-P-C4' energy: -13.386 flat angles P-C4'-P energy: -11.602 tors. eta vs tors. theta energy: -16.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -167.621855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.621855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.621855 (E_RNA) where: Base-Base interactions energy: -111.166 where: short stacking energy: -56.115 Base-Backbone interact. energy: -0.299 local terms energy: -56.157096 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -12.512 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: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -171.620000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.620000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.620000 (E_RNA) where: Base-Base interactions energy: -113.269 where: short stacking energy: -54.373 Base-Backbone interact. energy: 0.097 local terms energy: -58.448148 where: bonds (distance) C4'-P energy: -9.555 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -11.789 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -14.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -146.500672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.500672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.500672 (E_RNA) where: Base-Base interactions energy: -92.847 where: short stacking energy: -35.061 Base-Backbone interact. energy: -0.892 local terms energy: -52.761528 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -12.645 flat angles C4'-P-C4' energy: -14.441 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -6.448 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: 9 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -153.479571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.479571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.479571 (E_RNA) where: Base-Base interactions energy: -84.184 where: short stacking energy: -48.081 Base-Backbone interact. energy: -0.422 local terms energy: -68.873416 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -15.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -128.260310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.260310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.260310 (E_RNA) where: Base-Base interactions energy: -72.036 where: short stacking energy: -30.027 Base-Backbone interact. energy: -0.150 local terms energy: -56.074054 where: bonds (distance) C4'-P energy: -14.739 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -12.206 flat angles P-C4'-P energy: -9.482 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: 8, replica: 7 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -74.745095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.745095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.745095 (E_RNA) where: Base-Base interactions energy: -29.534 where: short stacking energy: -29.518 Base-Backbone interact. energy: -0.001 local terms energy: -45.210565 where: bonds (distance) C4'-P energy: -9.630 bonds (distance) P-C4' energy: -15.435 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -0.126 tors. eta vs tors. theta energy: -6.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -88.161740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.161740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.161740 (E_RNA) where: Base-Base interactions energy: -40.658 where: short stacking energy: -31.596 Base-Backbone interact. energy: -0.068 local terms energy: -47.435776 where: bonds (distance) C4'-P energy: -11.334 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -8.499 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -6.481 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: 428 Temperature: 1.350000 Total energy: -71.250007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.250007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.250007 (E_RNA) where: Base-Base interactions energy: -25.928 where: short stacking energy: -17.352 Base-Backbone interact. energy: -0.189 local terms energy: -45.133752 where: bonds (distance) C4'-P energy: -10.479 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -183.550581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.550581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.550581 (E_RNA) where: Base-Base interactions energy: -111.822 where: short stacking energy: -55.728 Base-Backbone interact. energy: -1.055 local terms energy: -70.674324 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -15.208 flat angles C4'-P-C4' energy: -15.134 flat angles P-C4'-P energy: -9.342 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: 2, replica: 1 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -171.009231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.009231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.009231 (E_RNA) where: Base-Base interactions energy: -112.212 where: short stacking energy: -53.533 Base-Backbone interact. energy: -0.317 local terms energy: -58.480178 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -13.240 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -15.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -174.588607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.588607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.588607 (E_RNA) where: Base-Base interactions energy: -110.423 where: short stacking energy: -44.931 Base-Backbone interact. energy: 0.075 local terms energy: -64.241230 where: bonds (distance) C4'-P energy: -15.607 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -11.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -160.227829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.227829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.227829 (E_RNA) where: Base-Base interactions energy: -100.210 where: short stacking energy: -53.668 Base-Backbone interact. energy: -0.223 local terms energy: -59.795269 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -10.977 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: 3 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -160.258746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.258746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.258746 (E_RNA) where: Base-Base interactions energy: -103.618 where: short stacking energy: -44.545 Base-Backbone interact. energy: 0.941 local terms energy: -57.582151 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -14.764 flat angles C4'-P-C4' energy: -13.672 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -9.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -156.825372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.825372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.825372 (E_RNA) where: Base-Base interactions energy: -94.845 where: short stacking energy: -40.011 Base-Backbone interact. energy: -0.257 local terms energy: -61.722826 where: bonds (distance) C4'-P energy: -9.332 bonds (distance) P-C4' energy: -16.855 flat angles C4'-P-C4' energy: -12.283 flat angles P-C4'-P energy: -10.275 tors. eta vs tors. theta energy: -12.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -126.294010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.294010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.294010 (E_RNA) where: Base-Base interactions energy: -71.836 where: short stacking energy: -33.315 Base-Backbone interact. energy: -0.303 local terms energy: -54.155325 where: bonds (distance) C4'-P energy: -12.391 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -15.402 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -92.043589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.043589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.043589 (E_RNA) where: Base-Base interactions energy: -39.141 where: short stacking energy: -28.140 Base-Backbone interact. energy: -0.008 local terms energy: -52.895158 where: bonds (distance) C4'-P energy: -15.405 bonds (distance) P-C4' energy: -11.660 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -7.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -86.903880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.903880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.903880 (E_RNA) where: Base-Base interactions energy: -37.360 where: short stacking energy: -36.171 Base-Backbone interact. energy: 0.220 local terms energy: -49.764302 where: bonds (distance) C4'-P energy: -10.962 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -8.965 flat angles P-C4'-P energy: -8.959 tors. eta vs tors. theta energy: -7.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -66.045830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.045830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.045830 (E_RNA) where: Base-Base interactions energy: -23.018 where: short stacking energy: -23.018 Base-Backbone interact. energy: -0.014 local terms energy: -43.013518 where: bonds (distance) C4'-P energy: -15.637 bonds (distance) P-C4' energy: -9.315 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: 1.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -180.886775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.886775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.886775 (E_RNA) where: Base-Base interactions energy: -112.844 where: short stacking energy: -58.524 Base-Backbone interact. energy: -0.595 local terms energy: -67.448229 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -15.558 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -17.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -174.159230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.159230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.159230 (E_RNA) where: Base-Base interactions energy: -107.731 where: short stacking energy: -50.317 Base-Backbone interact. energy: -0.392 local terms energy: -66.035940 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -8.325 tors. eta vs tors. theta energy: -18.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -174.428497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.428497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.428497 (E_RNA) where: Base-Base interactions energy: -113.226 where: short stacking energy: -51.268 Base-Backbone interact. energy: -0.543 local terms energy: -60.659675 where: bonds (distance) C4'-P energy: -15.277 bonds (distance) P-C4' energy: -9.026 flat angles C4'-P-C4' energy: -12.740 flat angles P-C4'-P energy: -10.417 tors. eta vs tors. theta energy: -13.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -156.906192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.906192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.906192 (E_RNA) where: Base-Base interactions energy: -95.817 where: short stacking energy: -52.613 Base-Backbone interact. energy: -0.000 local terms energy: -61.089283 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -14.644 flat angles P-C4'-P energy: -6.666 tors. eta vs tors. theta energy: -13.388 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: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -157.137147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.137147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.137147 (E_RNA) where: Base-Base interactions energy: -100.039 where: short stacking energy: -44.643 Base-Backbone interact. energy: -0.057 local terms energy: -57.041904 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -11.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -154.144841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.144841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.144841 (E_RNA) where: Base-Base interactions energy: -89.922 where: short stacking energy: -50.992 Base-Backbone interact. energy: -0.319 local terms energy: -63.903443 where: bonds (distance) C4'-P energy: -10.867 bonds (distance) P-C4' energy: -12.238 flat angles C4'-P-C4' energy: -16.225 flat angles P-C4'-P energy: -9.943 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: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -135.857713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.857713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.857713 (E_RNA) where: Base-Base interactions energy: -81.173 where: short stacking energy: -37.822 Base-Backbone interact. energy: -0.379 local terms energy: -54.305227 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -11.966 flat angles C4'-P-C4' energy: -11.592 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -9.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -88.858202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.858202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.858202 (E_RNA) where: Base-Base interactions energy: -36.000 where: short stacking energy: -19.123 Base-Backbone interact. energy: -1.307 local terms energy: -51.551119 where: bonds (distance) C4'-P energy: -14.680 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -12.768 flat angles P-C4'-P energy: -7.245 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: 9, replica: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -79.298185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.298185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.298185 (E_RNA) where: Base-Base interactions energy: -28.989 where: short stacking energy: -28.748 Base-Backbone interact. energy: -0.051 local terms energy: -50.257899 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -13.855 flat angles C4'-P-C4' energy: -13.663 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -92.344990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.344990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.344990 (E_RNA) where: Base-Base interactions energy: -48.354 where: short stacking energy: -29.006 Base-Backbone interact. energy: -0.096 local terms energy: -43.895459 where: bonds (distance) C4'-P energy: -10.318 bonds (distance) P-C4' energy: -13.267 flat angles C4'-P-C4' energy: -8.138 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -2.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -178.730468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.730468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.730468 (E_RNA) where: Base-Base interactions energy: -110.056 where: short stacking energy: -69.876 Base-Backbone interact. energy: -0.110 local terms energy: -68.564018 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -15.573 flat angles C4'-P-C4' energy: -13.129 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -17.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -187.648392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.648392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.648392 (E_RNA) where: Base-Base interactions energy: -124.060 where: short stacking energy: -54.470 Base-Backbone interact. energy: -0.301 local terms energy: -63.286783 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -14.959 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -10.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -170.296299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.296299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.296299 (E_RNA) where: Base-Base interactions energy: -106.241 where: short stacking energy: -50.972 Base-Backbone interact. energy: -0.626 local terms energy: -63.429632 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -7.200 tors. eta vs tors. theta energy: -15.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -168.289120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.289120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.289120 (E_RNA) where: Base-Base interactions energy: -108.144 where: short stacking energy: -50.776 Base-Backbone interact. energy: -0.089 local terms energy: -60.055635 where: bonds (distance) C4'-P energy: -13.150 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -14.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -149.776664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.776664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.776664 (E_RNA) where: Base-Base interactions energy: -94.185 where: short stacking energy: -38.279 Base-Backbone interact. energy: -0.201 local terms energy: -55.390527 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -10.785 flat angles C4'-P-C4' energy: -10.556 flat angles P-C4'-P energy: -11.063 tors. eta vs tors. theta energy: -11.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -166.600652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.600652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.600652 (E_RNA) where: Base-Base interactions energy: -102.059 where: short stacking energy: -54.888 Base-Backbone interact. energy: -0.092 local terms energy: -64.450118 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -15.769 flat angles P-C4'-P energy: -9.110 tors. eta vs tors. theta energy: -15.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -103.898422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.898422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.898422 (E_RNA) where: Base-Base interactions energy: -60.005 where: short stacking energy: -28.318 Base-Backbone interact. energy: 0.422 local terms energy: -44.315880 where: bonds (distance) C4'-P energy: -9.838 bonds (distance) P-C4' energy: -12.601 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -1.189 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: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -75.558036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558036 (E_RNA) where: Base-Base interactions energy: -23.594 where: short stacking energy: -23.367 Base-Backbone interact. energy: -0.273 local terms energy: -51.691557 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -15.619 flat angles C4'-P-C4' energy: -10.622 flat angles P-C4'-P energy: -10.609 tors. eta vs tors. theta energy: -0.487 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: 431 Temperature: 1.300000 Total energy: -72.528342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.528342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.528342 (E_RNA) where: Base-Base interactions energy: -34.594 where: short stacking energy: -33.995 Base-Backbone interact. energy: -0.101 local terms energy: -37.833590 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -12.816 flat angles C4'-P-C4' energy: -8.379 flat angles P-C4'-P energy: -6.728 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: 10, replica: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -69.483368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.483368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.483368 (E_RNA) where: Base-Base interactions energy: -33.428 where: short stacking energy: -21.194 Base-Backbone interact. energy: -0.078 local terms energy: -35.976682 where: bonds (distance) C4'-P energy: -8.566 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -11.007 flat angles P-C4'-P energy: -7.618 tors. eta vs tors. theta energy: -0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -187.475806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.475806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.475806 (E_RNA) where: Base-Base interactions energy: -122.366 where: short stacking energy: -54.682 Base-Backbone interact. energy: 0.092 local terms energy: -65.202320 where: bonds (distance) C4'-P energy: -14.023 bonds (distance) P-C4' energy: -11.891 flat angles C4'-P-C4' energy: -15.250 flat angles P-C4'-P energy: -8.891 tors. eta vs tors. theta energy: -15.148 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: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -173.733076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.733076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.733076 (E_RNA) where: Base-Base interactions energy: -108.372 where: short stacking energy: -40.930 Base-Backbone interact. energy: 0.003 local terms energy: -65.364267 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -12.819 flat angles P-C4'-P energy: -12.929 tors. eta vs tors. theta energy: -10.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -161.084605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.084605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.084605 (E_RNA) where: Base-Base interactions energy: -106.295 where: short stacking energy: -34.703 Base-Backbone interact. energy: -0.630 local terms energy: -54.159943 where: bonds (distance) C4'-P energy: -11.397 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -5.550 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: 4, replica: 10 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -169.110030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.110030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.110030 (E_RNA) where: Base-Base interactions energy: -104.359 where: short stacking energy: -55.739 Base-Backbone interact. energy: -0.130 local terms energy: -64.620796 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -15.883 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -16.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -164.919345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.919345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.919345 (E_RNA) where: Base-Base interactions energy: -108.909 where: short stacking energy: -45.162 Base-Backbone interact. energy: -0.052 local terms energy: -55.958318 where: bonds (distance) C4'-P energy: -10.420 bonds (distance) P-C4' energy: -10.686 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -7.938 tors. eta vs tors. theta energy: -13.083 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: 2 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -148.071275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.071275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.071275 (E_RNA) where: Base-Base interactions energy: -95.295 where: short stacking energy: -54.883 Base-Backbone interact. energy: -0.042 local terms energy: -52.734692 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -9.745 flat angles C4'-P-C4' energy: -11.270 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -10.995 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: 8 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -80.448261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.448261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.448261 (E_RNA) where: Base-Base interactions energy: -24.919 where: short stacking energy: -22.465 Base-Backbone interact. energy: -0.015 local terms energy: -55.513871 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -10.213 tors. eta vs tors. theta energy: -5.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -75.532845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.532845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.532845 (E_RNA) where: Base-Base interactions energy: -25.530 where: short stacking energy: -24.820 Base-Backbone interact. energy: 0.169 local terms energy: -50.172599 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -14.645 flat angles C4'-P-C4' energy: -12.579 flat angles P-C4'-P energy: -8.075 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -67.475237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.475237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.475237 (E_RNA) where: Base-Base interactions energy: -22.053 where: short stacking energy: -17.567 Base-Backbone interact. energy: 0.061 local terms energy: -45.483658 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -8.767 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -71.407977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.407977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.407977 (E_RNA) where: Base-Base interactions energy: -27.119 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.259 local terms energy: -44.030040 where: bonds (distance) C4'-P energy: -10.585 bonds (distance) P-C4' energy: -12.073 flat angles C4'-P-C4' energy: -9.018 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -3.972 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: 1, replica: 4 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -178.538580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.538580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.538580 (E_RNA) where: Base-Base interactions energy: -117.412 where: short stacking energy: -51.783 Base-Backbone interact. energy: -0.524 local terms energy: -60.603191 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -12.788 flat angles P-C4'-P energy: -7.440 tors. eta vs tors. theta energy: -13.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -182.123592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.123592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.123592 (E_RNA) where: Base-Base interactions energy: -117.480 where: short stacking energy: -53.412 Base-Backbone interact. energy: -0.236 local terms energy: -64.407603 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -15.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -160.560860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.560860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.560860 (E_RNA) where: Base-Base interactions energy: -105.163 where: short stacking energy: -44.577 Base-Backbone interact. energy: -0.869 local terms energy: -54.528695 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -13.298 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -5.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -160.395580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.395580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.395580 (E_RNA) where: Base-Base interactions energy: -100.728 where: short stacking energy: -50.998 Base-Backbone interact. energy: -0.023 local terms energy: -59.644572 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -11.138 flat angles P-C4'-P energy: -8.353 tors. eta vs tors. theta energy: -10.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -160.667643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.667643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.667643 (E_RNA) where: Base-Base interactions energy: -107.153 where: short stacking energy: -46.879 Base-Backbone interact. energy: -0.444 local terms energy: -53.071007 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -13.892 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -10.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -169.909923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.909923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.909923 (E_RNA) where: Base-Base interactions energy: -112.643 where: short stacking energy: -38.949 Base-Backbone interact. energy: -0.835 local terms energy: -56.431560 where: bonds (distance) C4'-P energy: -13.667 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -10.324 flat angles P-C4'-P energy: -11.495 tors. eta vs tors. theta energy: -7.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -82.761655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.761655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.761655 (E_RNA) where: Base-Base interactions energy: -36.724 where: short stacking energy: -16.946 Base-Backbone interact. energy: -0.179 local terms energy: -45.858648 where: bonds (distance) C4'-P energy: -15.190 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: 1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -68.465095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.465095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.465095 (E_RNA) where: Base-Base interactions energy: -25.568 where: short stacking energy: -16.800 Base-Backbone interact. energy: -0.273 local terms energy: -42.624271 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -9.292 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -71.727012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.727012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.727012 (E_RNA) where: Base-Base interactions energy: -25.775 where: short stacking energy: -25.775 Base-Backbone interact. energy: -0.079 local terms energy: -45.873067 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -10.474 flat angles C4'-P-C4' energy: -9.807 flat angles P-C4'-P energy: -9.758 tors. eta vs tors. theta energy: -3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -72.136942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.136942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.136942 (E_RNA) where: Base-Base interactions energy: -32.292 where: short stacking energy: -29.296 Base-Backbone interact. energy: -0.300 local terms energy: -39.545571 where: bonds (distance) C4'-P energy: -11.792 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -4.629 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: 434 Temperature: 0.900000 Total energy: -183.142334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.142334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.142334 (E_RNA) where: Base-Base interactions energy: -113.939 where: short stacking energy: -58.175 Base-Backbone interact. energy: -0.920 local terms energy: -68.283589 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -12.587 flat angles P-C4'-P energy: -10.623 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: 2, replica: 4 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -178.564756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.564756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.564756 (E_RNA) where: Base-Base interactions energy: -113.544 where: short stacking energy: -58.376 Base-Backbone interact. energy: -0.285 local terms energy: -64.735485 where: bonds (distance) C4'-P energy: -14.310 bonds (distance) P-C4' energy: -14.170 flat angles C4'-P-C4' energy: -14.465 flat angles P-C4'-P energy: -7.432 tors. eta vs tors. theta energy: -14.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -166.892710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.892710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.892710 (E_RNA) where: Base-Base interactions energy: -104.353 where: short stacking energy: -46.579 Base-Backbone interact. energy: -0.989 local terms energy: -61.550817 where: bonds (distance) C4'-P energy: -15.157 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -11.245 flat angles P-C4'-P energy: -10.494 tors. eta vs tors. theta energy: -10.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -147.100553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.100553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.100553 (E_RNA) where: Base-Base interactions energy: -91.003 where: short stacking energy: -48.563 Base-Backbone interact. energy: -0.478 local terms energy: -55.619950 where: bonds (distance) C4'-P energy: -10.049 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -14.846 flat angles P-C4'-P energy: -10.183 tors. eta vs tors. theta energy: -9.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -172.503207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.503207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.503207 (E_RNA) where: Base-Base interactions energy: -118.816 where: short stacking energy: -46.156 Base-Backbone interact. energy: -0.801 local terms energy: -52.886567 where: bonds (distance) C4'-P energy: -9.068 bonds (distance) P-C4' energy: -13.830 flat angles C4'-P-C4' energy: -13.347 flat angles P-C4'-P energy: -7.124 tors. eta vs tors. theta energy: -9.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -166.851122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.851122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.851122 (E_RNA) where: Base-Base interactions energy: -106.845 where: short stacking energy: -42.392 Base-Backbone interact. energy: -0.760 local terms energy: -59.245614 where: bonds (distance) C4'-P energy: -10.660 bonds (distance) P-C4' energy: -16.460 flat angles C4'-P-C4' energy: -13.149 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -11.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -86.301777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.301777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.301777 (E_RNA) where: Base-Base interactions energy: -43.697 where: short stacking energy: -20.413 Base-Backbone interact. energy: -0.753 local terms energy: -41.851667 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -10.679 flat angles P-C4'-P energy: -6.613 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: 8, replica: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -99.962086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.962086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.962086 (E_RNA) where: Base-Base interactions energy: -46.446 where: short stacking energy: -31.254 Base-Backbone interact. energy: -0.224 local terms energy: -53.291788 where: bonds (distance) C4'-P energy: -12.616 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -9.322 flat angles P-C4'-P energy: -11.771 tors. eta vs tors. theta energy: -7.593 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: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -68.529950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.529950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.529950 (E_RNA) where: Base-Base interactions energy: -27.977 where: short stacking energy: -18.169 Base-Backbone interact. energy: -0.111 local terms energy: -40.441912 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -14.058 flat angles C4'-P-C4' energy: -8.666 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: 2.818 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: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -71.669722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.669722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.669722 (E_RNA) where: Base-Base interactions energy: -30.729 where: short stacking energy: -24.267 Base-Backbone interact. energy: 1.179 local terms energy: -42.120224 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -11.693 flat angles C4'-P-C4' energy: -10.908 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -1.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -184.996484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.996484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.996484 (E_RNA) where: Base-Base interactions energy: -123.134 where: short stacking energy: -53.523 Base-Backbone interact. energy: -0.117 local terms energy: -61.745573 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -15.838 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -11.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -177.230962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.230962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.230962 (E_RNA) where: Base-Base interactions energy: -114.221 where: short stacking energy: -55.794 Base-Backbone interact. energy: -0.291 local terms energy: -62.718953 where: bonds (distance) C4'-P energy: -11.849 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -9.766 flat angles P-C4'-P energy: -8.195 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: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -164.486172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.486172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.486172 (E_RNA) where: Base-Base interactions energy: -109.654 where: short stacking energy: -53.505 Base-Backbone interact. energy: -0.874 local terms energy: -53.958757 where: bonds (distance) C4'-P energy: -11.575 bonds (distance) P-C4' energy: -12.015 flat angles C4'-P-C4' energy: -15.108 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -12.573 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: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -168.299802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.299802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.299802 (E_RNA) where: Base-Base interactions energy: -103.725 where: short stacking energy: -46.313 Base-Backbone interact. energy: -0.733 local terms energy: -63.841506 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -15.449 flat angles C4'-P-C4' energy: -15.429 flat angles P-C4'-P energy: -7.692 tors. eta vs tors. theta energy: -12.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -147.572834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.572834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.572834 (E_RNA) where: Base-Base interactions energy: -87.074 where: short stacking energy: -41.853 Base-Backbone interact. energy: -0.776 local terms energy: -59.722407 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -11.234 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -13.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -159.064083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.064083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.064083 (E_RNA) where: Base-Base interactions energy: -98.457 where: short stacking energy: -45.663 Base-Backbone interact. energy: -0.060 local terms energy: -60.546709 where: bonds (distance) C4'-P energy: -15.277 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -12.115 flat angles P-C4'-P energy: -5.021 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: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -80.421905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.421905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.421905 (E_RNA) where: Base-Base interactions energy: -38.840 where: short stacking energy: -15.391 Base-Backbone interact. energy: -0.289 local terms energy: -41.293194 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -11.067 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: 3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -75.184287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.184287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.184287 (E_RNA) where: Base-Base interactions energy: -22.098 where: short stacking energy: -22.098 Base-Backbone interact. energy: -0.116 local terms energy: -52.969927 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -12.535 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -8.084 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: 9, replica: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -70.550524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.550524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.550524 (E_RNA) where: Base-Base interactions energy: -17.593 where: short stacking energy: -17.003 Base-Backbone interact. energy: -0.026 local terms energy: -52.931312 where: bonds (distance) C4'-P energy: -8.408 bonds (distance) P-C4' energy: -14.139 flat angles C4'-P-C4' energy: -12.536 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -7.866 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: 6 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -77.481898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.481898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.481898 (E_RNA) where: Base-Base interactions energy: -28.360 where: short stacking energy: -27.265 Base-Backbone interact. energy: -0.183 local terms energy: -48.938462 where: bonds (distance) C4'-P energy: -6.401 bonds (distance) P-C4' energy: -13.887 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -7.364 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: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -181.419000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.419000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.419000 (E_RNA) where: Base-Base interactions energy: -123.450 where: short stacking energy: -48.592 Base-Backbone interact. energy: -0.746 local terms energy: -57.223665 where: bonds (distance) C4'-P energy: -14.511 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -12.738 flat angles P-C4'-P energy: -7.690 tors. eta vs tors. theta energy: -10.564 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: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -174.485196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.485196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.485196 (E_RNA) where: Base-Base interactions energy: -104.624 where: short stacking energy: -57.328 Base-Backbone interact. energy: -0.002 local terms energy: -69.859096 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -14.737 flat angles P-C4'-P energy: -9.455 tors. eta vs tors. theta energy: -17.385 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: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -173.737983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.737983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.737983 (E_RNA) where: Base-Base interactions energy: -107.517 where: short stacking energy: -49.543 Base-Backbone interact. energy: -0.449 local terms energy: -65.772263 where: bonds (distance) C4'-P energy: -13.664 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -12.057 flat angles P-C4'-P energy: -11.261 tors. eta vs tors. theta energy: -14.885 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: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -164.881180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.881180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.881180 (E_RNA) where: Base-Base interactions energy: -108.856 where: short stacking energy: -48.521 Base-Backbone interact. energy: -0.830 local terms energy: -55.195183 where: bonds (distance) C4'-P energy: -11.572 bonds (distance) P-C4' energy: -15.657 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -12.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -168.134821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.134821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.134821 (E_RNA) where: Base-Base interactions energy: -113.245 where: short stacking energy: -43.855 Base-Backbone interact. energy: 1.105 local terms energy: -55.995577 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -15.200 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -10.808 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: 436 Temperature: 1.150000 Total energy: -150.638535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.638535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.638535 (E_RNA) where: Base-Base interactions energy: -93.788 where: short stacking energy: -45.088 Base-Backbone interact. energy: 0.667 local terms energy: -57.518008 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -10.711 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: -14.266 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: 7, replica: 7 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -85.308946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.308946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.308946 (E_RNA) where: Base-Base interactions energy: -33.616 where: short stacking energy: -33.616 Base-Backbone interact. energy: 0.165 local terms energy: -51.858763 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -12.263 flat angles P-C4'-P energy: -7.382 tors. eta vs tors. theta energy: -8.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -106.177683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.177683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.177683 (E_RNA) where: Base-Base interactions energy: -62.803 where: short stacking energy: -25.951 Base-Backbone interact. energy: -0.059 local terms energy: -43.315722 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -9.007 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -7.145 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: 9, replica: 6 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -78.822259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.822259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.822259 (E_RNA) where: Base-Base interactions energy: -36.404 where: short stacking energy: -36.404 Base-Backbone interact. energy: -0.127 local terms energy: -42.290914 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -10.535 flat angles C4'-P-C4' energy: -8.294 flat angles P-C4'-P energy: -9.902 tors. eta vs tors. theta energy: -5.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -73.338176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.338176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.338176 (E_RNA) where: Base-Base interactions energy: -29.040 where: short stacking energy: -19.322 Base-Backbone interact. energy: -0.058 local terms energy: -44.240354 where: bonds (distance) C4'-P energy: -10.512 bonds (distance) P-C4' energy: -11.685 flat angles C4'-P-C4' energy: -10.904 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -6.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -180.336426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.336426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.336426 (E_RNA) where: Base-Base interactions energy: -118.001 where: short stacking energy: -57.343 Base-Backbone interact. energy: -0.118 local terms energy: -62.217486 where: bonds (distance) C4'-P energy: -10.707 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -13.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -181.979465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.979465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.979465 (E_RNA) where: Base-Base interactions energy: -112.025 where: short stacking energy: -52.273 Base-Backbone interact. energy: -0.100 local terms energy: -69.854341 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -13.721 flat angles C4'-P-C4' energy: -15.637 flat angles P-C4'-P energy: -8.960 tors. eta vs tors. theta energy: -17.413 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: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -166.704552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.704552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.704552 (E_RNA) where: Base-Base interactions energy: -101.373 where: short stacking energy: -51.272 Base-Backbone interact. energy: -0.155 local terms energy: -65.176669 where: bonds (distance) C4'-P energy: -12.142 bonds (distance) P-C4' energy: -11.409 flat angles C4'-P-C4' energy: -16.490 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -15.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -166.656806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.656806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.656806 (E_RNA) where: Base-Base interactions energy: -97.474 where: short stacking energy: -59.424 Base-Backbone interact. energy: 0.240 local terms energy: -69.422161 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -16.375 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -8.316 tors. eta vs tors. theta energy: -18.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -151.166970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.166970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.166970 (E_RNA) where: Base-Base interactions energy: -91.637 where: short stacking energy: -46.917 Base-Backbone interact. energy: -0.170 local terms energy: -59.360245 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -11.455 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -12.246 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: 6, replica: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -141.736520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.736520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.736520 (E_RNA) where: Base-Base interactions energy: -86.172 where: short stacking energy: -33.788 Base-Backbone interact. energy: -0.112 local terms energy: -55.452018 where: bonds (distance) C4'-P energy: -14.460 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -10.620 flat angles P-C4'-P energy: -11.818 tors. eta vs tors. theta energy: -5.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -103.348685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.348685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.348685 (E_RNA) where: Base-Base interactions energy: -57.736 where: short stacking energy: -31.493 Base-Backbone interact. energy: -0.162 local terms energy: -45.450699 where: bonds (distance) C4'-P energy: -11.024 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: -4.241 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: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -67.815777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.815777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.815777 (E_RNA) where: Base-Base interactions energy: -30.572 where: short stacking energy: -18.627 Base-Backbone interact. energy: -0.125 local terms energy: -37.118852 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -10.926 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -66.785861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.785861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.785861 (E_RNA) where: Base-Base interactions energy: -25.502 where: short stacking energy: -21.558 Base-Backbone interact. energy: -0.120 local terms energy: -41.163783 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -11.435 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -70.238142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.238142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.238142 (E_RNA) where: Base-Base interactions energy: -31.676 where: short stacking energy: -14.103 Base-Backbone interact. energy: -0.125 local terms energy: -38.437700 where: bonds (distance) C4'-P energy: -14.077 bonds (distance) P-C4' energy: -9.840 flat angles C4'-P-C4' energy: -9.930 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: 0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -178.700354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.700354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.700354 (E_RNA) where: Base-Base interactions energy: -116.818 where: short stacking energy: -48.609 Base-Backbone interact. energy: -0.454 local terms energy: -61.428883 where: bonds (distance) C4'-P energy: -12.085 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -10.292 flat angles P-C4'-P energy: -8.813 tors. eta vs tors. theta energy: -15.811 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: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -177.443848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.443848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.443848 (E_RNA) where: Base-Base interactions energy: -109.829 where: short stacking energy: -49.424 Base-Backbone interact. energy: -0.512 local terms energy: -67.102961 where: bonds (distance) C4'-P energy: -13.915 bonds (distance) P-C4' energy: -15.797 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -8.360 tors. eta vs tors. theta energy: -13.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -168.435942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.435942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.435942 (E_RNA) where: Base-Base interactions energy: -107.012 where: short stacking energy: -57.750 Base-Backbone interact. energy: -0.014 local terms energy: -61.410661 where: bonds (distance) C4'-P energy: -11.960 bonds (distance) P-C4' energy: -13.167 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -8.081 tors. eta vs tors. theta energy: -16.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -167.751143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.751143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.751143 (E_RNA) where: Base-Base interactions energy: -102.983 where: short stacking energy: -56.358 Base-Backbone interact. energy: -0.002 local terms energy: -64.766714 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -15.816 flat angles P-C4'-P energy: -5.485 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: 5, replica: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -161.621368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.621368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.621368 (E_RNA) where: Base-Base interactions energy: -97.006 where: short stacking energy: -48.164 Base-Backbone interact. energy: -0.029 local terms energy: -64.586292 where: bonds (distance) C4'-P energy: -10.665 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -12.150 flat angles P-C4'-P energy: -7.754 tors. eta vs tors. theta energy: -17.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -86.109430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.109430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.109430 (E_RNA) where: Base-Base interactions energy: -49.190 where: short stacking energy: -20.192 Base-Backbone interact. energy: -0.056 local terms energy: -36.863094 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -10.875 flat angles P-C4'-P energy: -7.629 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: 7, replica: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -93.369412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.369412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.369412 (E_RNA) where: Base-Base interactions energy: -49.454 where: short stacking energy: -33.149 Base-Backbone interact. energy: -1.288 local terms energy: -42.627613 where: bonds (distance) C4'-P energy: -12.776 bonds (distance) P-C4' energy: -12.823 flat angles C4'-P-C4' energy: -9.838 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -76.629989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.629989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.629989 (E_RNA) where: Base-Base interactions energy: -26.961 where: short stacking energy: -19.451 Base-Backbone interact. energy: -0.031 local terms energy: -49.638470 where: bonds (distance) C4'-P energy: -10.629 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -14.766 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -81.695237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.695237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.695237 (E_RNA) where: Base-Base interactions energy: -45.588 where: short stacking energy: -34.791 Base-Backbone interact. energy: -0.147 local terms energy: -35.959918 where: bonds (distance) C4'-P energy: -6.807 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -10.381 tors. eta vs tors. theta energy: -6.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -71.253919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.253919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.253919 (E_RNA) where: Base-Base interactions energy: -30.414 where: short stacking energy: -16.869 Base-Backbone interact. energy: -0.131 local terms energy: -40.709598 where: bonds (distance) C4'-P energy: -9.738 bonds (distance) P-C4' energy: -10.168 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -160.945420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.945420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.945420 (E_RNA) where: Base-Base interactions energy: -101.062 where: short stacking energy: -43.375 Base-Backbone interact. energy: -1.465 local terms energy: -58.418700 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -11.549 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -9.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -176.570578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.570578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.570578 (E_RNA) where: Base-Base interactions energy: -111.401 where: short stacking energy: -58.029 Base-Backbone interact. energy: -0.009 local terms energy: -65.160265 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -11.978 flat angles C4'-P-C4' energy: -14.687 flat angles P-C4'-P energy: -7.952 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: 3, replica: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -182.735795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.735795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.735795 (E_RNA) where: Base-Base interactions energy: -119.593 where: short stacking energy: -57.372 Base-Backbone interact. energy: 0.074 local terms energy: -63.216630 where: bonds (distance) C4'-P energy: -13.997 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -9.513 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: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -170.524176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.524176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.524176 (E_RNA) where: Base-Base interactions energy: -108.839 where: short stacking energy: -50.006 Base-Backbone interact. energy: -0.162 local terms energy: -61.522868 where: bonds (distance) C4'-P energy: -13.248 bonds (distance) P-C4' energy: -12.535 flat angles C4'-P-C4' energy: -14.911 flat angles P-C4'-P energy: -6.818 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: 5, replica: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -158.566312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.566312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.566312 (E_RNA) where: Base-Base interactions energy: -95.489 where: short stacking energy: -42.606 Base-Backbone interact. energy: -0.597 local terms energy: -62.480763 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -11.683 tors. eta vs tors. theta energy: -14.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -100.868232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.868232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.868232 (E_RNA) where: Base-Base interactions energy: -49.407 where: short stacking energy: -44.171 Base-Backbone interact. energy: -0.006 local terms energy: -51.454778 where: bonds (distance) C4'-P energy: -9.261 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -10.978 flat angles P-C4'-P energy: -11.457 tors. eta vs tors. theta energy: -6.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -96.478932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.478932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.478932 (E_RNA) where: Base-Base interactions energy: -46.624 where: short stacking energy: -31.271 Base-Backbone interact. energy: 0.010 local terms energy: -49.864724 where: bonds (distance) C4'-P energy: -14.954 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -9.701 flat angles P-C4'-P energy: -8.831 tors. eta vs tors. theta energy: -4.012 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: 8, replica: 8 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -73.737462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.737462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.737462 (E_RNA) where: Base-Base interactions energy: -26.077 where: short stacking energy: -23.280 Base-Backbone interact. energy: -0.099 local terms energy: -47.561554 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -15.896 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -6.701 tors. eta vs tors. theta energy: -3.534 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: 9, replica: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -69.608769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.608769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.608769 (E_RNA) where: Base-Base interactions energy: -35.067 where: short stacking energy: -21.990 Base-Backbone interact. energy: -0.529 local terms energy: -34.012806 where: bonds (distance) C4'-P energy: -10.124 bonds (distance) P-C4' energy: -10.768 flat angles C4'-P-C4' energy: -3.488 flat angles P-C4'-P energy: -6.666 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -67.744492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.744492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.744492 (E_RNA) where: Base-Base interactions energy: -25.934 where: short stacking energy: -19.058 Base-Backbone interact. energy: -0.432 local terms energy: -41.379010 where: bonds (distance) C4'-P energy: -9.722 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -4.305 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: 1, replica: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -180.285935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.285935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.285935 (E_RNA) where: Base-Base interactions energy: -111.767 where: short stacking energy: -45.957 Base-Backbone interact. energy: -0.448 local terms energy: -68.071210 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -13.288 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -15.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -175.884474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.884474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.884474 (E_RNA) where: Base-Base interactions energy: -109.253 where: short stacking energy: -58.923 Base-Backbone interact. energy: -0.000 local terms energy: -66.630814 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -13.798 flat angles C4'-P-C4' energy: -13.649 flat angles P-C4'-P energy: -6.303 tors. eta vs tors. theta energy: -18.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -176.260343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.260343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.260343 (E_RNA) where: Base-Base interactions energy: -111.778 where: short stacking energy: -54.798 Base-Backbone interact. energy: -0.258 local terms energy: -64.224753 where: bonds (distance) C4'-P energy: -13.359 bonds (distance) P-C4' energy: -14.304 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -6.871 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: 4, replica: 2 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -167.155656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.155656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.155656 (E_RNA) where: Base-Base interactions energy: -105.114 where: short stacking energy: -61.745 Base-Backbone interact. energy: -0.105 local terms energy: -61.936906 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -9.295 flat angles P-C4'-P energy: -8.021 tors. eta vs tors. theta energy: -18.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -149.274408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.274408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.274408 (E_RNA) where: Base-Base interactions energy: -101.428 where: short stacking energy: -41.429 Base-Backbone interact. energy: -0.841 local terms energy: -47.005612 where: bonds (distance) C4'-P energy: -9.879 bonds (distance) P-C4' energy: -6.575 flat angles C4'-P-C4' energy: -14.616 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -9.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -96.406612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.406612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.406612 (E_RNA) where: Base-Base interactions energy: -49.568 where: short stacking energy: -36.173 Base-Backbone interact. energy: -0.931 local terms energy: -45.907039 where: bonds (distance) C4'-P energy: -8.504 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -11.048 flat angles P-C4'-P energy: -5.824 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: 7, replica: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -85.915145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.915145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.915145 (E_RNA) where: Base-Base interactions energy: -38.587 where: short stacking energy: -31.797 Base-Backbone interact. energy: -0.134 local terms energy: -47.194296 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -13.565 flat angles C4'-P-C4' energy: -9.490 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -79.873813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.873813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.873813 (E_RNA) where: Base-Base interactions energy: -22.507 where: short stacking energy: -22.218 Base-Backbone interact. energy: -0.139 local terms energy: -57.227424 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -12.965 flat angles P-C4'-P energy: -10.164 tors. eta vs tors. theta energy: -7.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -78.575206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.575206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.575206 (E_RNA) where: Base-Base interactions energy: -36.651 where: short stacking energy: -24.838 Base-Backbone interact. energy: -0.209 local terms energy: -41.714382 where: bonds (distance) C4'-P energy: -8.724 bonds (distance) P-C4' energy: -12.495 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -73.413494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.413494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.413494 (E_RNA) where: Base-Base interactions energy: -29.934 where: short stacking energy: -11.104 Base-Backbone interact. energy: -0.723 local terms energy: -42.756536 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -8.876 tors. eta vs tors. theta energy: 2.769 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: 10 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -182.142333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.142333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.142333 (E_RNA) where: Base-Base interactions energy: -114.905 where: short stacking energy: -52.862 Base-Backbone interact. energy: -1.107 local terms energy: -66.129604 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -15.494 flat angles P-C4'-P energy: -12.030 tors. eta vs tors. theta energy: -14.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -164.268901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.268901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.268901 (E_RNA) where: Base-Base interactions energy: -102.914 where: short stacking energy: -40.927 Base-Backbone interact. energy: -0.112 local terms energy: -61.242423 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -13.744 flat angles P-C4'-P energy: -7.832 tors. eta vs tors. theta energy: -13.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -174.696254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.696254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.696254 (E_RNA) where: Base-Base interactions energy: -114.697 where: short stacking energy: -56.596 Base-Backbone interact. energy: 0.666 local terms energy: -60.665018 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -10.607 tors. eta vs tors. theta energy: -13.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -158.149615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.149615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.149615 (E_RNA) where: Base-Base interactions energy: -94.469 where: short stacking energy: -43.159 Base-Backbone interact. energy: -0.796 local terms energy: -62.885102 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -14.909 flat angles C4'-P-C4' energy: -14.586 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -13.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -146.421657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.421657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.421657 (E_RNA) where: Base-Base interactions energy: -86.266 where: short stacking energy: -47.643 Base-Backbone interact. energy: -0.126 local terms energy: -60.029667 where: bonds (distance) C4'-P energy: -9.844 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -10.108 tors. eta vs tors. theta energy: -11.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -84.299768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.299768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.299768 (E_RNA) where: Base-Base interactions energy: -31.884 where: short stacking energy: -29.217 Base-Backbone interact. energy: -0.161 local terms energy: -52.254344 where: bonds (distance) C4'-P energy: -14.913 bonds (distance) P-C4' energy: -9.404 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -6.995 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: 441 Temperature: 1.200000 Total energy: -81.784307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.784307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.784307 (E_RNA) where: Base-Base interactions energy: -31.963 where: short stacking energy: -31.963 Base-Backbone interact. energy: -0.239 local terms energy: -49.582898 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -4.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -82.394928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.394928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.394928 (E_RNA) where: Base-Base interactions energy: -42.418 where: short stacking energy: -22.899 Base-Backbone interact. energy: -1.198 local terms energy: -38.779498 where: bonds (distance) C4'-P energy: -10.545 bonds (distance) P-C4' energy: -11.966 flat angles C4'-P-C4' energy: -9.083 flat angles P-C4'-P energy: -7.204 tors. eta vs tors. theta energy: 0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -72.105910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.105910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.105910 (E_RNA) where: Base-Base interactions energy: -23.791 where: short stacking energy: -23.791 Base-Backbone interact. energy: 0.320 local terms energy: -48.635534 where: bonds (distance) C4'-P energy: -12.427 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -9.630 flat angles P-C4'-P energy: -5.120 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: 7 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -69.521017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.521017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.521017 (E_RNA) where: Base-Base interactions energy: -24.135 where: short stacking energy: -17.238 Base-Backbone interact. energy: 0.558 local terms energy: -45.944098 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -15.131 flat angles C4'-P-C4' energy: -8.575 flat angles P-C4'-P energy: -8.301 tors. eta vs tors. theta energy: -0.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -180.187472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.187472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.187472 (E_RNA) where: Base-Base interactions energy: -114.754 where: short stacking energy: -60.426 Base-Backbone interact. energy: -0.003 local terms energy: -65.430779 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -12.515 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -16.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -168.886872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.886872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.886872 (E_RNA) where: Base-Base interactions energy: -95.482 where: short stacking energy: -51.278 Base-Backbone interact. energy: -0.206 local terms energy: -73.199323 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -16.182 flat angles P-C4'-P energy: -12.603 tors. eta vs tors. theta energy: -13.611 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: 3, replica: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -146.575345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.575345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.575345 (E_RNA) where: Base-Base interactions energy: -89.153 where: short stacking energy: -50.242 Base-Backbone interact. energy: -0.163 local terms energy: -57.259788 where: bonds (distance) C4'-P energy: -9.832 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -14.511 flat angles P-C4'-P energy: -9.502 tors. eta vs tors. theta energy: -9.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -166.796376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.796376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.796376 (E_RNA) where: Base-Base interactions energy: -101.339 where: short stacking energy: -48.157 Base-Backbone interact. energy: -0.886 local terms energy: -64.571409 where: bonds (distance) C4'-P energy: -13.579 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -13.375 flat angles P-C4'-P energy: -8.438 tors. eta vs tors. theta energy: -14.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -147.072236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.072236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.072236 (E_RNA) where: Base-Base interactions energy: -92.699 where: short stacking energy: -40.794 Base-Backbone interact. energy: -0.119 local terms energy: -54.254558 where: bonds (distance) C4'-P energy: -14.730 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -13.463 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -4.895 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: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -116.116885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.116885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.116885 (E_RNA) where: Base-Base interactions energy: -62.119 where: short stacking energy: -41.831 Base-Backbone interact. energy: -0.007 local terms energy: -53.990666 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -11.014 flat angles C4'-P-C4' energy: -12.664 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: -8.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -98.871065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.871065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.871065 (E_RNA) where: Base-Base interactions energy: -37.860 where: short stacking energy: -28.622 Base-Backbone interact. energy: -0.016 local terms energy: -60.995345 where: bonds (distance) C4'-P energy: -15.658 bonds (distance) P-C4' energy: -12.152 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -8.882 tors. eta vs tors. theta energy: -10.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -83.788895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.788895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.788895 (E_RNA) where: Base-Base interactions energy: -34.900 where: short stacking energy: -30.174 Base-Backbone interact. energy: 4.732 local terms energy: -53.620762 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -6.124 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: 442 Temperature: 1.300000 Total energy: -78.824696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.824696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.824696 (E_RNA) where: Base-Base interactions energy: -40.605 where: short stacking energy: -23.430 Base-Backbone interact. energy: 1.634 local terms energy: -39.854118 where: bonds (distance) C4'-P energy: -10.268 bonds (distance) P-C4' energy: -11.462 flat angles C4'-P-C4' energy: -11.872 flat angles P-C4'-P energy: -6.879 tors. eta vs tors. theta energy: 0.626 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: 442 Temperature: 1.350000 Total energy: -70.709079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.709079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.709079 (E_RNA) where: Base-Base interactions energy: -39.222 where: short stacking energy: -21.215 Base-Backbone interact. energy: -0.125 local terms energy: -31.361950 where: bonds (distance) C4'-P energy: -6.920 bonds (distance) P-C4' energy: -8.568 flat angles C4'-P-C4' energy: -11.486 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: 1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -177.481667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.481667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.481667 (E_RNA) where: Base-Base interactions energy: -110.304 where: short stacking energy: -50.381 Base-Backbone interact. energy: -0.141 local terms energy: -67.036927 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -14.964 flat angles C4'-P-C4' energy: -12.990 flat angles P-C4'-P energy: -10.794 tors. eta vs tors. theta energy: -14.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -172.555384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.555384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.555384 (E_RNA) where: Base-Base interactions energy: -110.955 where: short stacking energy: -50.277 Base-Backbone interact. energy: -1.091 local terms energy: -60.508865 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -11.105 flat angles C4'-P-C4' energy: -14.590 flat angles P-C4'-P energy: -11.133 tors. eta vs tors. theta energy: -9.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -175.882887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.882887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.882887 (E_RNA) where: Base-Base interactions energy: -112.733 where: short stacking energy: -41.781 Base-Backbone interact. energy: -0.254 local terms energy: -62.895397 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -15.155 flat angles C4'-P-C4' energy: -13.979 flat angles P-C4'-P energy: -7.605 tors. eta vs tors. theta energy: -13.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -147.628887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.628887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.628887 (E_RNA) where: Base-Base interactions energy: -86.638 where: short stacking energy: -43.256 Base-Backbone interact. energy: -0.023 local terms energy: -60.968339 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -13.455 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -14.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -164.972833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.972833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.972833 (E_RNA) where: Base-Base interactions energy: -101.003 where: short stacking energy: -38.859 Base-Backbone interact. energy: -0.422 local terms energy: -63.547869 where: bonds (distance) C4'-P energy: -15.038 bonds (distance) P-C4' energy: -11.786 flat angles C4'-P-C4' energy: -14.700 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -13.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -98.200326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.200326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.200326 (E_RNA) where: Base-Base interactions energy: -54.454 where: short stacking energy: -28.644 Base-Backbone interact. energy: -0.543 local terms energy: -43.203582 where: bonds (distance) C4'-P energy: -12.358 bonds (distance) P-C4' energy: -11.715 flat angles C4'-P-C4' energy: -10.023 flat angles P-C4'-P energy: -6.738 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -87.637148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.637148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.637148 (E_RNA) where: Base-Base interactions energy: -44.644 where: short stacking energy: -29.492 Base-Backbone interact. energy: -0.220 local terms energy: -42.773349 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -7.357 tors. eta vs tors. theta energy: -3.678 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: 8 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -72.340328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.340328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.340328 (E_RNA) where: Base-Base interactions energy: -26.673 where: short stacking energy: -26.673 Base-Backbone interact. energy: -0.408 local terms energy: -45.259306 where: bonds (distance) C4'-P energy: -14.341 bonds (distance) P-C4' energy: -12.236 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -6.119 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: 5 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -79.466232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.466232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.466232 (E_RNA) where: Base-Base interactions energy: -28.777 where: short stacking energy: -27.921 Base-Backbone interact. energy: 0.609 local terms energy: -51.298963 where: bonds (distance) C4'-P energy: -10.198 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -10.047 flat angles P-C4'-P energy: -10.258 tors. eta vs tors. theta energy: -9.308 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: 7 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -78.907558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.907558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.907558 (E_RNA) where: Base-Base interactions energy: -33.923 where: short stacking energy: -34.941 Base-Backbone interact. energy: -0.025 local terms energy: -44.959904 where: bonds (distance) C4'-P energy: -8.127 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -9.112 flat angles P-C4'-P energy: -8.168 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: 1, replica: 2 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -172.126722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.126722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.126722 (E_RNA) where: Base-Base interactions energy: -115.000 where: short stacking energy: -44.489 Base-Backbone interact. energy: -0.267 local terms energy: -56.859595 where: bonds (distance) C4'-P energy: -11.791 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -12.204 flat angles P-C4'-P energy: -6.887 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: 2, replica: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -163.790381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.790381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.790381 (E_RNA) where: Base-Base interactions energy: -101.277 where: short stacking energy: -46.952 Base-Backbone interact. energy: -0.031 local terms energy: -62.482395 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -11.615 tors. eta vs tors. theta energy: -13.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -179.808555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.808555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.808555 (E_RNA) where: Base-Base interactions energy: -114.211 where: short stacking energy: -47.797 Base-Backbone interact. energy: -0.491 local terms energy: -65.105991 where: bonds (distance) C4'-P energy: -16.568 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -11.534 tors. eta vs tors. theta energy: -10.123 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: 4 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -151.968541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.968541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.968541 (E_RNA) where: Base-Base interactions energy: -91.334 where: short stacking energy: -43.264 Base-Backbone interact. energy: -0.108 local terms energy: -60.527110 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -12.100 flat angles P-C4'-P energy: -8.000 tors. eta vs tors. theta energy: -12.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -153.558671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.558671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.558671 (E_RNA) where: Base-Base interactions energy: -98.230 where: short stacking energy: -49.253 Base-Backbone interact. energy: -0.970 local terms energy: -54.359228 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -12.037 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: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -100.134884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.134884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.134884 (E_RNA) where: Base-Base interactions energy: -40.823 where: short stacking energy: -40.823 Base-Backbone interact. energy: 0.581 local terms energy: -59.892783 where: bonds (distance) C4'-P energy: -13.457 bonds (distance) P-C4' energy: -16.926 flat angles C4'-P-C4' energy: -12.279 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -9.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -97.207409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.207409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.207409 (E_RNA) where: Base-Base interactions energy: -53.273 where: short stacking energy: -28.762 Base-Backbone interact. energy: -0.227 local terms energy: -43.707153 where: bonds (distance) C4'-P energy: -13.058 bonds (distance) P-C4' energy: -15.389 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -2.098 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: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -71.799261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.799261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.799261 (E_RNA) where: Base-Base interactions energy: -29.109 where: short stacking energy: -4.511 Base-Backbone interact. energy: -0.143 local terms energy: -42.547036 where: bonds (distance) C4'-P energy: -14.519 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -8.934 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: 6.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -71.111347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.111347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.111347 (E_RNA) where: Base-Base interactions energy: -25.795 where: short stacking energy: -22.646 Base-Backbone interact. energy: -0.236 local terms energy: -45.080085 where: bonds (distance) C4'-P energy: -11.269 bonds (distance) P-C4' energy: -13.288 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -1.601 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: 10, replica: 5 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -77.066472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.066472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.066472 (E_RNA) where: Base-Base interactions energy: -33.789 where: short stacking energy: -18.637 Base-Backbone interact. energy: -0.348 local terms energy: -42.930056 where: bonds (distance) C4'-P energy: -8.711 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -10.812 flat angles P-C4'-P energy: -7.962 tors. eta vs tors. theta energy: -1.994 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: 1, replica: 2 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -186.813192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.813192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.813192 (E_RNA) where: Base-Base interactions energy: -123.697 where: short stacking energy: -45.549 Base-Backbone interact. energy: -0.673 local terms energy: -62.442631 where: bonds (distance) C4'-P energy: -15.857 bonds (distance) P-C4' energy: -10.976 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -11.551 tors. eta vs tors. theta energy: -8.526 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: 445 Temperature: 0.950000 Total energy: -170.133558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.133558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.133558 (E_RNA) where: Base-Base interactions energy: -98.528 where: short stacking energy: -53.468 Base-Backbone interact. energy: -0.076 local terms energy: -71.529211 where: bonds (distance) C4'-P energy: -13.670 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -15.340 flat angles P-C4'-P energy: -9.985 tors. eta vs tors. theta energy: -16.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -173.337956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.337956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.337956 (E_RNA) where: Base-Base interactions energy: -108.855 where: short stacking energy: -57.893 Base-Backbone interact. energy: -0.369 local terms energy: -64.113271 where: bonds (distance) C4'-P energy: -15.206 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -16.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -170.506204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.506204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.506204 (E_RNA) where: Base-Base interactions energy: -102.147 where: short stacking energy: -58.537 Base-Backbone interact. energy: -0.633 local terms energy: -67.726039 where: bonds (distance) C4'-P energy: -13.783 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -12.351 flat angles P-C4'-P energy: -9.223 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: 5, replica: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -140.699566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.699566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.699566 (E_RNA) where: Base-Base interactions energy: -86.523 where: short stacking energy: -41.435 Base-Backbone interact. energy: -0.014 local terms energy: -54.162164 where: bonds (distance) C4'-P energy: -8.967 bonds (distance) P-C4' energy: -10.445 flat angles C4'-P-C4' energy: -15.478 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: -11.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -87.762754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.762754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.762754 (E_RNA) where: Base-Base interactions energy: -40.192 where: short stacking energy: -21.814 Base-Backbone interact. energy: -0.136 local terms energy: -47.434457 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -13.453 flat angles C4'-P-C4' energy: -11.156 flat angles P-C4'-P energy: -7.532 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: 7, replica: 6 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -88.181254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.181254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.181254 (E_RNA) where: Base-Base interactions energy: -46.066 where: short stacking energy: -28.533 Base-Backbone interact. energy: -0.143 local terms energy: -41.972718 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -11.001 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -8.366 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: 8, replica: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -78.566100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.566100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.566100 (E_RNA) where: Base-Base interactions energy: -35.376 where: short stacking energy: -29.270 Base-Backbone interact. energy: -0.047 local terms energy: -43.143145 where: bonds (distance) C4'-P energy: -8.044 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -11.202 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -86.846692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.846692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.846692 (E_RNA) where: Base-Base interactions energy: -48.453 where: short stacking energy: -26.095 Base-Backbone interact. energy: 0.844 local terms energy: -39.237989 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -8.000 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -9.037 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: 5 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -73.962937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.962937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.962937 (E_RNA) where: Base-Base interactions energy: -26.806 where: short stacking energy: -26.260 Base-Backbone interact. energy: -0.161 local terms energy: -46.995674 where: bonds (distance) C4'-P energy: -11.963 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -10.276 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -184.637586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.637586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.637586 (E_RNA) where: Base-Base interactions energy: -118.361 where: short stacking energy: -64.249 Base-Backbone interact. energy: -0.264 local terms energy: -66.012982 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -9.595 flat angles P-C4'-P energy: -10.486 tors. eta vs tors. theta energy: -19.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -170.019297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.019297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.019297 (E_RNA) where: Base-Base interactions energy: -108.288 where: short stacking energy: -53.036 Base-Backbone interact. energy: -0.882 local terms energy: -60.848934 where: bonds (distance) C4'-P energy: -12.566 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -13.995 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -14.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -173.164617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.164617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.164617 (E_RNA) where: Base-Base interactions energy: -111.848 where: short stacking energy: -54.313 Base-Backbone interact. energy: -0.100 local terms energy: -61.216171 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -15.812 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -17.026 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: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -163.385111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.385111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.385111 (E_RNA) where: Base-Base interactions energy: -98.471 where: short stacking energy: -49.233 Base-Backbone interact. energy: 0.979 local terms energy: -65.893164 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -10.986 tors. eta vs tors. theta energy: -13.085 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: 5, replica: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -141.120123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.120123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.120123 (E_RNA) where: Base-Base interactions energy: -90.286 where: short stacking energy: -37.455 Base-Backbone interact. energy: -0.571 local terms energy: -50.263454 where: bonds (distance) C4'-P energy: -10.458 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -87.354493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.354493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.354493 (E_RNA) where: Base-Base interactions energy: -28.750 where: short stacking energy: -24.964 Base-Backbone interact. energy: -0.133 local terms energy: -58.471597 where: bonds (distance) C4'-P energy: -15.289 bonds (distance) P-C4' energy: -11.169 flat angles C4'-P-C4' energy: -15.568 flat angles P-C4'-P energy: -6.948 tors. eta vs tors. theta energy: -9.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -80.708284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.708284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.708284 (E_RNA) where: Base-Base interactions energy: -36.212 where: short stacking energy: -25.474 Base-Backbone interact. energy: -0.006 local terms energy: -44.490748 where: bonds (distance) C4'-P energy: -7.515 bonds (distance) P-C4' energy: -15.896 flat angles C4'-P-C4' energy: -10.351 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -4.992 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: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -84.733479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.733479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.733479 (E_RNA) where: Base-Base interactions energy: -35.256 where: short stacking energy: -27.948 Base-Backbone interact. energy: -0.348 local terms energy: -49.129291 where: bonds (distance) C4'-P energy: -9.790 bonds (distance) P-C4' energy: -12.742 flat angles C4'-P-C4' energy: -13.623 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -6.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -71.163396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.163396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.163396 (E_RNA) where: Base-Base interactions energy: -23.137 where: short stacking energy: -22.480 Base-Backbone interact. energy: -0.159 local terms energy: -47.867116 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -13.366 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -8.262 tors. eta vs tors. theta energy: -0.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -69.524901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.524901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.524901 (E_RNA) where: Base-Base interactions energy: -27.016 where: short stacking energy: -22.974 Base-Backbone interact. energy: -0.114 local terms energy: -42.394679 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -13.776 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: 1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -180.454561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.454561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.454561 (E_RNA) where: Base-Base interactions energy: -110.873 where: short stacking energy: -51.090 Base-Backbone interact. energy: -0.788 local terms energy: -68.793380 where: bonds (distance) C4'-P energy: -12.483 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -14.057 flat angles P-C4'-P energy: -10.856 tors. eta vs tors. theta energy: -16.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -183.826170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.826170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.826170 (E_RNA) where: Base-Base interactions energy: -118.391 where: short stacking energy: -62.612 Base-Backbone interact. energy: -0.576 local terms energy: -64.858989 where: bonds (distance) C4'-P energy: -9.966 bonds (distance) P-C4' energy: -12.111 flat angles C4'-P-C4' energy: -13.275 flat angles P-C4'-P energy: -11.306 tors. eta vs tors. theta energy: -18.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -159.589196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.589196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.589196 (E_RNA) where: Base-Base interactions energy: -94.613 where: short stacking energy: -43.475 Base-Backbone interact. energy: -0.003 local terms energy: -64.973397 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -11.153 tors. eta vs tors. theta energy: -15.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -160.055337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.055337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.055337 (E_RNA) where: Base-Base interactions energy: -96.617 where: short stacking energy: -42.700 Base-Backbone interact. energy: -0.158 local terms energy: -63.280321 where: bonds (distance) C4'-P energy: -14.271 bonds (distance) P-C4' energy: -14.415 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -10.956 tors. eta vs tors. theta energy: -9.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -155.281612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.281612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.281612 (E_RNA) where: Base-Base interactions energy: -94.064 where: short stacking energy: -48.682 Base-Backbone interact. energy: -0.096 local terms energy: -61.121381 where: bonds (distance) C4'-P energy: -9.951 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -12.278 flat angles P-C4'-P energy: -10.872 tors. eta vs tors. theta energy: -15.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -88.201092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.201092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.201092 (E_RNA) where: Base-Base interactions energy: -36.227 where: short stacking energy: -29.466 Base-Backbone interact. energy: 0.219 local terms energy: -52.192562 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -12.242 flat angles P-C4'-P energy: -9.455 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -78.017602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.017602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.017602 (E_RNA) where: Base-Base interactions energy: -29.610 where: short stacking energy: -23.534 Base-Backbone interact. energy: -0.048 local terms energy: -48.359475 where: bonds (distance) C4'-P energy: -13.920 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -81.273207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.273207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.273207 (E_RNA) where: Base-Base interactions energy: -40.836 where: short stacking energy: -39.198 Base-Backbone interact. energy: 3.835 local terms energy: -44.272039 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -14.595 flat angles C4'-P-C4' energy: -10.399 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -8.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -70.913471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.913471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.913471 (E_RNA) where: Base-Base interactions energy: -31.104 where: short stacking energy: -29.887 Base-Backbone interact. energy: 3.736 local terms energy: -43.545489 where: bonds (distance) C4'-P energy: -8.620 bonds (distance) P-C4' energy: -16.855 flat angles C4'-P-C4' energy: -12.359 flat angles P-C4'-P energy: -1.644 tors. eta vs tors. theta energy: -4.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -75.232512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.232512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.232512 (E_RNA) where: Base-Base interactions energy: -40.851 where: short stacking energy: -33.557 Base-Backbone interact. energy: 0.399 local terms energy: -34.780938 where: bonds (distance) C4'-P energy: -10.913 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: 0.561 tors. eta vs tors. theta energy: -5.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -176.927242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.927242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.927242 (E_RNA) where: Base-Base interactions energy: -110.832 where: short stacking energy: -51.237 Base-Backbone interact. energy: -0.319 local terms energy: -65.777165 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -13.203 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: 2, replica: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -177.835555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.835555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.835555 (E_RNA) where: Base-Base interactions energy: -117.124 where: short stacking energy: -55.114 Base-Backbone interact. energy: -0.262 local terms energy: -60.449900 where: bonds (distance) C4'-P energy: -12.870 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -9.179 flat angles P-C4'-P energy: -10.127 tors. eta vs tors. theta energy: -15.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -165.754657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.754657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.754657 (E_RNA) where: Base-Base interactions energy: -105.000 where: short stacking energy: -44.822 Base-Backbone interact. energy: -0.317 local terms energy: -60.437530 where: bonds (distance) C4'-P energy: -11.327 bonds (distance) P-C4' energy: -16.662 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -11.207 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: 448 Temperature: 1.050000 Total energy: -152.767947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.767947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.767947 (E_RNA) where: Base-Base interactions energy: -104.653 where: short stacking energy: -45.547 Base-Backbone interact. energy: -0.258 local terms energy: -47.856474 where: bonds (distance) C4'-P energy: -8.682 bonds (distance) P-C4' energy: -9.810 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -8.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -148.887368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.887368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.887368 (E_RNA) where: Base-Base interactions energy: -93.129 where: short stacking energy: -51.540 Base-Backbone interact. energy: -0.321 local terms energy: -55.437603 where: bonds (distance) C4'-P energy: -10.341 bonds (distance) P-C4' energy: -12.442 flat angles C4'-P-C4' energy: -9.969 flat angles P-C4'-P energy: -8.336 tors. eta vs tors. theta energy: -14.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -87.984160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.984160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.984160 (E_RNA) where: Base-Base interactions energy: -33.425 where: short stacking energy: -28.541 Base-Backbone interact. energy: -0.073 local terms energy: -54.486874 where: bonds (distance) C4'-P energy: -13.252 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -15.357 flat angles P-C4'-P energy: -6.693 tors. eta vs tors. theta energy: -4.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -91.361229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.361229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.361229 (E_RNA) where: Base-Base interactions energy: -45.060 where: short stacking energy: -27.389 Base-Backbone interact. energy: -0.199 local terms energy: -46.101823 where: bonds (distance) C4'-P energy: -9.651 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -9.683 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -2.879 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: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -79.678945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.678945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.678945 (E_RNA) where: Base-Base interactions energy: -33.276 where: short stacking energy: -33.276 Base-Backbone interact. energy: -0.051 local terms energy: -46.352071 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -10.149 flat angles P-C4'-P energy: -2.317 tors. eta vs tors. theta energy: -6.754 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: 5 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -77.339986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.339986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.339986 (E_RNA) where: Base-Base interactions energy: -26.424 where: short stacking energy: -26.424 Base-Backbone interact. energy: 0.445 local terms energy: -51.360410 where: bonds (distance) C4'-P energy: -9.283 bonds (distance) P-C4' energy: -16.038 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -9.279 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: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -75.037606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.037606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.037606 (E_RNA) where: Base-Base interactions energy: -27.346 where: short stacking energy: -27.346 Base-Backbone interact. energy: -0.137 local terms energy: -47.554744 where: bonds (distance) C4'-P energy: -15.305 bonds (distance) P-C4' energy: -11.013 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -10.893 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -182.792096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.792096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.792096 (E_RNA) where: Base-Base interactions energy: -113.325 where: short stacking energy: -54.742 Base-Backbone interact. energy: -0.002 local terms energy: -69.465432 where: bonds (distance) C4'-P energy: -14.764 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -8.197 tors. eta vs tors. theta energy: -18.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -182.393766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.393766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.393766 (E_RNA) where: Base-Base interactions energy: -111.902 where: short stacking energy: -60.245 Base-Backbone interact. energy: -0.169 local terms energy: -70.323509 where: bonds (distance) C4'-P energy: -15.082 bonds (distance) P-C4' energy: -16.168 flat angles C4'-P-C4' energy: -16.227 flat angles P-C4'-P energy: -11.161 tors. eta vs tors. theta energy: -11.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -166.222682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.222682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.222682 (E_RNA) where: Base-Base interactions energy: -106.937 where: short stacking energy: -45.731 Base-Backbone interact. energy: -0.022 local terms energy: -59.264224 where: bonds (distance) C4'-P energy: -10.040 bonds (distance) P-C4' energy: -11.299 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -10.107 tors. eta vs tors. theta energy: -15.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -145.198095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.198095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.198095 (E_RNA) where: Base-Base interactions energy: -91.429 where: short stacking energy: -33.523 Base-Backbone interact. energy: -1.135 local terms energy: -52.634266 where: bonds (distance) C4'-P energy: -13.452 bonds (distance) P-C4' energy: -11.601 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -7.436 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: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -137.522193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.522193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.522193 (E_RNA) where: Base-Base interactions energy: -87.787 where: short stacking energy: -38.587 Base-Backbone interact. energy: -0.140 local terms energy: -49.595778 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -9.675 flat angles P-C4'-P energy: -6.289 tors. eta vs tors. theta energy: -9.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -99.806889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.806889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.806889 (E_RNA) where: Base-Base interactions energy: -47.727 where: short stacking energy: -39.215 Base-Backbone interact. energy: -0.023 local terms energy: -52.056848 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -11.594 flat angles C4'-P-C4' energy: -10.783 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -10.388 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: 7, replica: 7 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -75.749006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.749006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.749006 (E_RNA) where: Base-Base interactions energy: -32.117 where: short stacking energy: -32.117 Base-Backbone interact. energy: -0.044 local terms energy: -43.587855 where: bonds (distance) C4'-P energy: -7.993 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -74.634583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.634583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.634583 (E_RNA) where: Base-Base interactions energy: -38.184 where: short stacking energy: -34.058 Base-Backbone interact. energy: 0.008 local terms energy: -36.458538 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -6.859 flat angles C4'-P-C4' energy: -10.637 flat angles P-C4'-P energy: -3.657 tors. eta vs tors. theta energy: -2.555 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: 9, replica: 6 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -80.705960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.705960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.705960 (E_RNA) where: Base-Base interactions energy: -37.615 where: short stacking energy: -37.615 Base-Backbone interact. energy: -0.216 local terms energy: -42.874352 where: bonds (distance) C4'-P energy: -9.647 bonds (distance) P-C4' energy: -8.768 flat angles C4'-P-C4' energy: -11.085 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -4.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -74.854812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.854812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.854812 (E_RNA) where: Base-Base interactions energy: -32.698 where: short stacking energy: -20.603 Base-Backbone interact. energy: -0.154 local terms energy: -42.002299 where: bonds (distance) C4'-P energy: -8.330 bonds (distance) P-C4' energy: -10.760 flat angles C4'-P-C4' energy: -11.187 flat angles P-C4'-P energy: -12.617 tors. eta vs tors. theta energy: 0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -178.630385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.630385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.630385 (E_RNA) where: Base-Base interactions energy: -119.529 where: short stacking energy: -56.195 Base-Backbone interact. energy: -1.274 local terms energy: -57.827285 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -11.740 flat angles C4'-P-C4' energy: -11.205 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -13.393 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: 10 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -178.267293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.267293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.267293 (E_RNA) where: Base-Base interactions energy: -109.719 where: short stacking energy: -49.970 Base-Backbone interact. energy: -0.161 local terms energy: -68.387395 where: bonds (distance) C4'-P energy: -12.738 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -15.464 flat angles P-C4'-P energy: -10.652 tors. eta vs tors. theta energy: -14.726 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: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -169.628590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.628590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.628590 (E_RNA) where: Base-Base interactions energy: -121.293 where: short stacking energy: -50.223 Base-Backbone interact. energy: -0.062 local terms energy: -48.274077 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -11.873 flat angles C4'-P-C4' energy: -11.656 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -5.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -171.305972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.305972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.305972 (E_RNA) where: Base-Base interactions energy: -118.845 where: short stacking energy: -62.331 Base-Backbone interact. energy: -0.539 local terms energy: -51.921567 where: bonds (distance) C4'-P energy: -10.752 bonds (distance) P-C4' energy: -10.578 flat angles C4'-P-C4' energy: -10.576 flat angles P-C4'-P energy: -5.582 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: 5, replica: 4 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -145.776899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.776899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.776899 (E_RNA) where: Base-Base interactions energy: -90.554 where: short stacking energy: -40.864 Base-Backbone interact. energy: -0.134 local terms energy: -55.088848 where: bonds (distance) C4'-P energy: -13.501 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -10.337 flat angles P-C4'-P energy: -11.248 tors. eta vs tors. theta energy: -6.875 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: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -92.004690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.004690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.004690 (E_RNA) where: Base-Base interactions energy: -47.095 where: short stacking energy: -41.778 Base-Backbone interact. energy: 0.951 local terms energy: -45.860928 where: bonds (distance) C4'-P energy: -11.352 bonds (distance) P-C4' energy: -8.847 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -7.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -76.940657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.940657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.940657 (E_RNA) where: Base-Base interactions energy: -28.473 where: short stacking energy: -28.473 Base-Backbone interact. energy: -0.130 local terms energy: -48.337323 where: bonds (distance) C4'-P energy: -12.338 bonds (distance) P-C4' energy: -17.144 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -5.812 tors. eta vs tors. theta energy: -5.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -128.219025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.219025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.219025 (E_RNA) where: Base-Base interactions energy: -76.135 where: short stacking energy: -34.650 Base-Backbone interact. energy: -0.014 local terms energy: -52.070137 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -11.945 flat angles C4'-P-C4' energy: -10.841 flat angles P-C4'-P energy: -6.673 tors. eta vs tors. theta energy: -9.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -85.580716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.580716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.580716 (E_RNA) where: Base-Base interactions energy: -44.068 where: short stacking energy: -26.383 Base-Backbone interact. energy: -0.486 local terms energy: -41.026772 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -9.779 flat angles C4'-P-C4' energy: -9.674 flat angles P-C4'-P energy: -8.426 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: 10, replica: 6 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -67.180567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.180567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.180567 (E_RNA) where: Base-Base interactions energy: -27.479 where: short stacking energy: -26.969 Base-Backbone interact. energy: -0.093 local terms energy: -39.607872 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -9.714 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -186.786845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.786845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.786845 (E_RNA) where: Base-Base interactions energy: -114.148 where: short stacking energy: -60.860 Base-Backbone interact. energy: -0.251 local terms energy: -72.386925 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -14.134 flat angles P-C4'-P energy: -10.070 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: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -196.117750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.117750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.117750 (E_RNA) where: Base-Base interactions energy: -134.763 where: short stacking energy: -61.214 Base-Backbone interact. energy: -0.498 local terms energy: -60.856636 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -11.647 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -17.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -163.009710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.009710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.009710 (E_RNA) where: Base-Base interactions energy: -101.740 where: short stacking energy: -47.328 Base-Backbone interact. energy: -0.682 local terms energy: -60.587504 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -11.753 flat angles P-C4'-P energy: -11.442 tors. eta vs tors. theta energy: -8.546 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: 451 Temperature: 1.050000 Total energy: -138.169948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.169948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.169948 (E_RNA) where: Base-Base interactions energy: -84.293 where: short stacking energy: -41.010 Base-Backbone interact. energy: -0.127 local terms energy: -53.749327 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -11.947 flat angles C4'-P-C4' energy: -10.359 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -10.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -162.184433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.184433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.184433 (E_RNA) where: Base-Base interactions energy: -102.315 where: short stacking energy: -51.977 Base-Backbone interact. energy: -0.658 local terms energy: -59.211646 where: bonds (distance) C4'-P energy: -11.388 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -11.583 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -13.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -91.020441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.020441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.020441 (E_RNA) where: Base-Base interactions energy: -45.525 where: short stacking energy: -33.223 Base-Backbone interact. energy: -0.031 local terms energy: -45.464241 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -14.314 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -97.845151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.845151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.845151 (E_RNA) where: Base-Base interactions energy: -42.819 where: short stacking energy: -42.819 Base-Backbone interact. energy: -0.002 local terms energy: -55.024274 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -10.910 flat angles C4'-P-C4' energy: -13.397 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -12.189 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: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -92.187251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.187251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.187251 (E_RNA) where: Base-Base interactions energy: -51.468 where: short stacking energy: -21.632 Base-Backbone interact. energy: -0.354 local terms energy: -40.365224 where: bonds (distance) C4'-P energy: -9.055 bonds (distance) P-C4' energy: -8.714 flat angles C4'-P-C4' energy: -11.063 flat angles P-C4'-P energy: -11.526 tors. eta vs tors. theta energy: -0.008 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: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -76.591936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.591936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.591936 (E_RNA) where: Base-Base interactions energy: -34.792 where: short stacking energy: -28.079 Base-Backbone interact. energy: -0.586 local terms energy: -41.213542 where: bonds (distance) C4'-P energy: -11.948 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -3.823 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: 6 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -80.704358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.704358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.704358 (E_RNA) where: Base-Base interactions energy: -29.698 where: short stacking energy: -27.911 Base-Backbone interact. energy: -0.112 local terms energy: -50.894470 where: bonds (distance) C4'-P energy: -11.644 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -11.557 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -10.016 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: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -196.134026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.134026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.134026 (E_RNA) where: Base-Base interactions energy: -134.063 where: short stacking energy: -52.365 Base-Backbone interact. energy: -0.075 local terms energy: -61.996517 where: bonds (distance) C4'-P energy: -14.941 bonds (distance) P-C4' energy: -16.376 flat angles C4'-P-C4' energy: -11.292 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -13.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -180.928508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.928508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.928508 (E_RNA) where: Base-Base interactions energy: -110.810 where: short stacking energy: -62.003 Base-Backbone interact. energy: -0.217 local terms energy: -69.902280 where: bonds (distance) C4'-P energy: -14.151 bonds (distance) P-C4' energy: -13.904 flat angles C4'-P-C4' energy: -11.631 flat angles P-C4'-P energy: -11.656 tors. eta vs tors. theta energy: -18.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -157.566596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.566596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.566596 (E_RNA) where: Base-Base interactions energy: -94.181 where: short stacking energy: -49.917 Base-Backbone interact. energy: 0.031 local terms energy: -63.417064 where: bonds (distance) C4'-P energy: -11.948 bonds (distance) P-C4' energy: -15.206 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -8.598 tors. eta vs tors. theta energy: -12.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -133.306474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.306474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.306474 (E_RNA) where: Base-Base interactions energy: -78.941 where: short stacking energy: -40.434 Base-Backbone interact. energy: -0.260 local terms energy: -54.106066 where: bonds (distance) C4'-P energy: -9.373 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -9.682 tors. eta vs tors. theta energy: -8.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -156.031720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.031720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.031720 (E_RNA) where: Base-Base interactions energy: -97.486 where: short stacking energy: -56.306 Base-Backbone interact. energy: -0.049 local terms energy: -58.496377 where: bonds (distance) C4'-P energy: -4.878 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -13.419 flat angles P-C4'-P energy: -12.458 tors. eta vs tors. theta energy: -11.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -83.997071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.997071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.997071 (E_RNA) where: Base-Base interactions energy: -42.546 where: short stacking energy: -26.349 Base-Backbone interact. energy: -0.487 local terms energy: -40.964416 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -13.072 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -4.825 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: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -82.689238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.689238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.689238 (E_RNA) where: Base-Base interactions energy: -29.216 where: short stacking energy: -29.216 Base-Backbone interact. energy: -0.120 local terms energy: -53.353147 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -9.579 flat angles P-C4'-P energy: -11.315 tors. eta vs tors. theta energy: -8.021 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: 8 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -70.214463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.214463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.214463 (E_RNA) where: Base-Base interactions energy: -26.048 where: short stacking energy: -26.048 Base-Backbone interact. energy: -0.143 local terms energy: -44.023088 where: bonds (distance) C4'-P energy: -10.512 bonds (distance) P-C4' energy: -14.096 flat angles C4'-P-C4' energy: -7.890 flat angles P-C4'-P energy: -9.514 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -86.598681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.598681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.598681 (E_RNA) where: Base-Base interactions energy: -32.224 where: short stacking energy: -23.406 Base-Backbone interact. energy: -1.132 local terms energy: -53.242429 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -14.912 flat angles C4'-P-C4' energy: -9.662 flat angles P-C4'-P energy: -5.493 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: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -78.235833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.235833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.235833 (E_RNA) where: Base-Base interactions energy: -27.497 where: short stacking energy: -22.618 Base-Backbone interact. energy: -0.524 local terms energy: -50.214046 where: bonds (distance) C4'-P energy: -15.396 bonds (distance) P-C4' energy: -17.145 flat angles C4'-P-C4' energy: -10.197 flat angles P-C4'-P energy: -5.599 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: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -190.963452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.963452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.963452 (E_RNA) where: Base-Base interactions energy: -131.373 where: short stacking energy: -54.260 Base-Backbone interact. energy: -0.906 local terms energy: -58.684784 where: bonds (distance) C4'-P energy: -9.441 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -11.818 flat angles P-C4'-P energy: -11.697 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: 2, replica: 3 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -182.652672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.652672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.652672 (E_RNA) where: Base-Base interactions energy: -108.828 where: short stacking energy: -61.400 Base-Backbone interact. energy: -0.001 local terms energy: -73.823612 where: bonds (distance) C4'-P energy: -16.709 bonds (distance) P-C4' energy: -15.277 flat angles C4'-P-C4' energy: -15.843 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -20.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -168.888336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.888336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.888336 (E_RNA) where: Base-Base interactions energy: -112.453 where: short stacking energy: -51.344 Base-Backbone interact. energy: -0.102 local terms energy: -56.333388 where: bonds (distance) C4'-P energy: -14.085 bonds (distance) P-C4' energy: -11.003 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -7.910 tors. eta vs tors. theta energy: -15.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -152.820876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.820876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.820876 (E_RNA) where: Base-Base interactions energy: -89.553 where: short stacking energy: -45.526 Base-Backbone interact. energy: -0.059 local terms energy: -63.209717 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -12.819 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -14.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -134.849101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.849101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.849101 (E_RNA) where: Base-Base interactions energy: -76.051 where: short stacking energy: -43.221 Base-Backbone interact. energy: -0.082 local terms energy: -58.715575 where: bonds (distance) C4'-P energy: -14.607 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -13.665 flat angles P-C4'-P energy: -9.915 tors. eta vs tors. theta energy: -8.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -104.561400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.561400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.561400 (E_RNA) where: Base-Base interactions energy: -51.300 where: short stacking energy: -39.670 Base-Backbone interact. energy: -0.021 local terms energy: -53.239829 where: bonds (distance) C4'-P energy: -13.745 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -15.593 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -5.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -100.925235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.925235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.925235 (E_RNA) where: Base-Base interactions energy: -46.192 where: short stacking energy: -28.702 Base-Backbone interact. energy: 0.494 local terms energy: -55.227594 where: bonds (distance) C4'-P energy: -11.422 bonds (distance) P-C4' energy: -15.247 flat angles C4'-P-C4' energy: -16.405 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -5.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -87.842665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.842665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.842665 (E_RNA) where: Base-Base interactions energy: -38.379 where: short stacking energy: -27.032 Base-Backbone interact. energy: -0.008 local terms energy: -49.454811 where: bonds (distance) C4'-P energy: -12.537 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -9.266 tors. eta vs tors. theta energy: -6.571 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: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -76.320785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.320785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.320785 (E_RNA) where: Base-Base interactions energy: -26.854 where: short stacking energy: -24.861 Base-Backbone interact. energy: -0.095 local terms energy: -49.371882 where: bonds (distance) C4'-P energy: -12.759 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -2.885 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: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -67.338993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.338993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.338993 (E_RNA) where: Base-Base interactions energy: -24.586 where: short stacking energy: -24.586 Base-Backbone interact. energy: -0.017 local terms energy: -42.735889 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -7.472 flat angles C4'-P-C4' energy: -9.836 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -5.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -185.998728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.998728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.998728 (E_RNA) where: Base-Base interactions energy: -115.950 where: short stacking energy: -57.467 Base-Backbone interact. energy: -0.239 local terms energy: -69.809632 where: bonds (distance) C4'-P energy: -15.766 bonds (distance) P-C4' energy: -13.083 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -18.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -192.218260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.218260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.218260 (E_RNA) where: Base-Base interactions energy: -130.044 where: short stacking energy: -47.937 Base-Backbone interact. energy: -0.104 local terms energy: -62.070564 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -11.266 flat angles P-C4'-P energy: -8.971 tors. eta vs tors. theta energy: -12.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -163.352832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.352832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.352832 (E_RNA) where: Base-Base interactions energy: -105.675 where: short stacking energy: -36.748 Base-Backbone interact. energy: -0.554 local terms energy: -57.124605 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -7.940 tors. eta vs tors. theta energy: -8.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -166.017917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.017917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.017917 (E_RNA) where: Base-Base interactions energy: -102.113 where: short stacking energy: -46.196 Base-Backbone interact. energy: -0.260 local terms energy: -63.644759 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -10.657 flat angles P-C4'-P energy: -11.120 tors. eta vs tors. theta energy: -12.503 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: 5, replica: 4 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -152.574989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.574989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.574989 (E_RNA) where: Base-Base interactions energy: -89.838 where: short stacking energy: -47.847 Base-Backbone interact. energy: -0.006 local terms energy: -62.730283 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -11.165 tors. eta vs tors. theta energy: -12.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -83.371943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.371943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.371943 (E_RNA) where: Base-Base interactions energy: -36.668 where: short stacking energy: -24.431 Base-Backbone interact. energy: -0.295 local terms energy: -46.409786 where: bonds (distance) C4'-P energy: -11.307 bonds (distance) P-C4' energy: -11.225 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -4.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -93.512868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.512868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.512868 (E_RNA) where: Base-Base interactions energy: -45.318 where: short stacking energy: -26.748 Base-Backbone interact. energy: -0.897 local terms energy: -47.297377 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -7.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -92.851889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.851889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.851889 (E_RNA) where: Base-Base interactions energy: -40.029 where: short stacking energy: -28.225 Base-Backbone interact. energy: -0.064 local terms energy: -52.759232 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -12.501 flat angles C4'-P-C4' energy: -15.201 flat angles P-C4'-P energy: -8.876 tors. eta vs tors. theta energy: -8.390 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: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -81.746045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.746045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.746045 (E_RNA) where: Base-Base interactions energy: -34.166 where: short stacking energy: -16.903 Base-Backbone interact. energy: -0.151 local terms energy: -47.428883 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -12.990 flat angles C4'-P-C4' energy: -14.197 flat angles P-C4'-P energy: -10.706 tors. eta vs tors. theta energy: -0.184 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: 454 Temperature: 1.350000 Total energy: -64.367008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.367008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.367008 (E_RNA) where: Base-Base interactions energy: -16.884 where: short stacking energy: -16.884 Base-Backbone interact. energy: -0.265 local terms energy: -47.218375 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: -2.899 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: 455 Temperature: 0.900000 Total energy: -177.101409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.101409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.101409 (E_RNA) where: Base-Base interactions energy: -107.894 where: short stacking energy: -59.075 Base-Backbone interact. energy: -0.343 local terms energy: -68.864849 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -11.705 flat angles C4'-P-C4' energy: -16.372 flat angles P-C4'-P energy: -8.195 tors. eta vs tors. theta energy: -19.365 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: 1 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -195.774388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.774388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.774388 (E_RNA) where: Base-Base interactions energy: -138.495 where: short stacking energy: -54.262 Base-Backbone interact. energy: -0.798 local terms energy: -56.482106 where: bonds (distance) C4'-P energy: -13.886 bonds (distance) P-C4' energy: -6.747 flat angles C4'-P-C4' energy: -14.259 flat angles P-C4'-P energy: -7.826 tors. eta vs tors. theta energy: -13.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -166.441032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.441032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.441032 (E_RNA) where: Base-Base interactions energy: -100.407 where: short stacking energy: -53.046 Base-Backbone interact. energy: -0.799 local terms energy: -65.235409 where: bonds (distance) C4'-P energy: -14.630 bonds (distance) P-C4' energy: -13.216 flat angles C4'-P-C4' energy: -14.703 flat angles P-C4'-P energy: -10.927 tors. eta vs tors. theta energy: -11.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -161.975102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.975102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.975102 (E_RNA) where: Base-Base interactions energy: -103.279 where: short stacking energy: -46.058 Base-Backbone interact. energy: -0.098 local terms energy: -58.597767 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -10.542 flat angles C4'-P-C4' energy: -12.536 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: -13.206 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: 4 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -155.114965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.114965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.114965 (E_RNA) where: Base-Base interactions energy: -87.201 where: short stacking energy: -46.571 Base-Backbone interact. energy: -0.010 local terms energy: -67.903393 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -15.462 flat angles P-C4'-P energy: -8.668 tors. eta vs tors. theta energy: -13.516 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: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -82.645042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.645042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.645042 (E_RNA) where: Base-Base interactions energy: -26.897 where: short stacking energy: -16.750 Base-Backbone interact. energy: -0.235 local terms energy: -55.512544 where: bonds (distance) C4'-P energy: -14.644 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -10.278 flat angles P-C4'-P energy: -7.887 tors. eta vs tors. theta energy: -6.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -85.190047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.190047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.190047 (E_RNA) where: Base-Base interactions energy: -28.558 where: short stacking energy: -27.075 Base-Backbone interact. energy: -1.096 local terms energy: -55.536076 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -5.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -75.696095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.696095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.696095 (E_RNA) where: Base-Base interactions energy: -25.254 where: short stacking energy: -25.254 Base-Backbone interact. energy: -0.101 local terms energy: -50.341739 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -12.013 flat angles P-C4'-P energy: -10.837 tors. eta vs tors. theta energy: -2.692 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: 6 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -86.930992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.930992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.930992 (E_RNA) where: Base-Base interactions energy: -42.931 where: short stacking energy: -31.065 Base-Backbone interact. energy: -0.081 local terms energy: -43.918546 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -14.705 flat angles C4'-P-C4' energy: -6.508 flat angles P-C4'-P energy: -0.296 tors. eta vs tors. theta energy: -8.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -75.316050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.316050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.316050 (E_RNA) where: Base-Base interactions energy: -31.541 where: short stacking energy: -23.708 Base-Backbone interact. energy: 0.149 local terms energy: -43.923634 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -8.710 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -3.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -189.759269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.759269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.759269 (E_RNA) where: Base-Base interactions energy: -126.376 where: short stacking energy: -50.560 Base-Backbone interact. energy: -0.242 local terms energy: -63.141721 where: bonds (distance) C4'-P energy: -13.737 bonds (distance) P-C4' energy: -15.141 flat angles C4'-P-C4' energy: -12.061 flat angles P-C4'-P energy: -8.670 tors. eta vs tors. theta energy: -13.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -183.044732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.044732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.044732 (E_RNA) where: Base-Base interactions energy: -116.109 where: short stacking energy: -62.959 Base-Backbone interact. energy: -0.020 local terms energy: -66.915653 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -15.084 flat angles P-C4'-P energy: -9.035 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: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -171.415180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.415180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.415180 (E_RNA) where: Base-Base interactions energy: -111.370 where: short stacking energy: -47.792 Base-Backbone interact. energy: -0.085 local terms energy: -59.959634 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -10.354 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -8.168 tors. eta vs tors. theta energy: -15.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -166.803157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.803157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.803157 (E_RNA) where: Base-Base interactions energy: -103.565 where: short stacking energy: -46.736 Base-Backbone interact. energy: -0.595 local terms energy: -62.643046 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -7.368 tors. eta vs tors. theta energy: -13.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -140.137548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.137548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.137548 (E_RNA) where: Base-Base interactions energy: -87.199 where: short stacking energy: -37.579 Base-Backbone interact. energy: -0.106 local terms energy: -52.832642 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -10.768 flat angles C4'-P-C4' energy: -15.167 flat angles P-C4'-P energy: -9.440 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -99.942411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.942411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.942411 (E_RNA) where: Base-Base interactions energy: -53.722 where: short stacking energy: -33.374 Base-Backbone interact. energy: -0.201 local terms energy: -46.019059 where: bonds (distance) C4'-P energy: -10.913 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -10.258 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -5.326 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: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -88.816508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.816508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.816508 (E_RNA) where: Base-Base interactions energy: -30.246 where: short stacking energy: -30.076 Base-Backbone interact. energy: -1.291 local terms energy: -57.279427 where: bonds (distance) C4'-P energy: -13.672 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -9.614 tors. eta vs tors. theta energy: -6.995 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: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -82.221925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.221925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.221925 (E_RNA) where: Base-Base interactions energy: -38.125 where: short stacking energy: -19.957 Base-Backbone interact. energy: -0.940 local terms energy: -43.157183 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: 0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -81.235258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.235258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.235258 (E_RNA) where: Base-Base interactions energy: -32.180 where: short stacking energy: -32.180 Base-Backbone interact. energy: -0.034 local terms energy: -49.021662 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -7.941 tors. eta vs tors. theta energy: -6.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -72.574410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.574410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.574410 (E_RNA) where: Base-Base interactions energy: -20.964 where: short stacking energy: -16.084 Base-Backbone interact. energy: -0.073 local terms energy: -51.537564 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -14.869 flat angles C4'-P-C4' energy: -12.976 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -199.752559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.752559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.752559 (E_RNA) where: Base-Base interactions energy: -134.423 where: short stacking energy: -52.533 Base-Backbone interact. energy: -0.111 local terms energy: -65.218630 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -14.733 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -13.382 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: 457 Temperature: 0.950000 Total energy: -177.176305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.176305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.176305 (E_RNA) where: Base-Base interactions energy: -109.974 where: short stacking energy: -54.037 Base-Backbone interact. energy: -0.096 local terms energy: -67.106869 where: bonds (distance) C4'-P energy: -14.959 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -14.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -167.283000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.283000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.283000 (E_RNA) where: Base-Base interactions energy: -105.594 where: short stacking energy: -51.717 Base-Backbone interact. energy: -1.445 local terms energy: -60.243571 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -12.431 flat angles C4'-P-C4' energy: -13.701 flat angles P-C4'-P energy: -10.505 tors. eta vs tors. theta energy: -14.460 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: 4, replica: 4 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -154.647487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.647487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.647487 (E_RNA) where: Base-Base interactions energy: -94.888 where: short stacking energy: -40.832 Base-Backbone interact. energy: -0.117 local terms energy: -59.642120 where: bonds (distance) C4'-P energy: -15.554 bonds (distance) P-C4' energy: -13.102 flat angles C4'-P-C4' energy: -11.702 flat angles P-C4'-P energy: -10.416 tors. eta vs tors. theta energy: -8.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -154.032896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.032896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.032896 (E_RNA) where: Base-Base interactions energy: -95.358 where: short stacking energy: -42.342 Base-Backbone interact. energy: -0.462 local terms energy: -58.212118 where: bonds (distance) C4'-P energy: -14.081 bonds (distance) P-C4' energy: -10.707 flat angles C4'-P-C4' energy: -12.727 flat angles P-C4'-P energy: -8.611 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: 6, replica: 5 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -82.275679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.275679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.275679 (E_RNA) where: Base-Base interactions energy: -39.765 where: short stacking energy: -26.788 Base-Backbone interact. energy: -0.236 local terms energy: -42.275454 where: bonds (distance) C4'-P energy: -13.785 bonds (distance) P-C4' energy: -13.912 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -90.299780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.299780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.299780 (E_RNA) where: Base-Base interactions energy: -42.483 where: short stacking energy: -38.375 Base-Backbone interact. energy: 0.766 local terms energy: -48.582719 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -4.119 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: 8, replica: 7 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -81.204500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.204500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.204500 (E_RNA) where: Base-Base interactions energy: -30.285 where: short stacking energy: -28.523 Base-Backbone interact. energy: -0.160 local terms energy: -50.759785 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -7.346 tors. eta vs tors. theta energy: -6.186 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: 9, replica: 8 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -84.018655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.018655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.018655 (E_RNA) where: Base-Base interactions energy: -32.398 where: short stacking energy: -25.864 Base-Backbone interact. energy: -0.781 local terms energy: -50.839290 where: bonds (distance) C4'-P energy: -10.103 bonds (distance) P-C4' energy: -12.823 flat angles C4'-P-C4' energy: -11.690 flat angles P-C4'-P energy: -8.246 tors. eta vs tors. theta energy: -7.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -81.668297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.668297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.668297 (E_RNA) where: Base-Base interactions energy: -32.766 where: short stacking energy: -32.461 Base-Backbone interact. energy: -1.234 local terms energy: -47.668293 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -12.118 flat angles C4'-P-C4' energy: -14.393 flat angles P-C4'-P energy: -8.284 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: 1, replica: 2 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -183.835598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.835598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.835598 (E_RNA) where: Base-Base interactions energy: -114.990 where: short stacking energy: -62.167 Base-Backbone interact. energy: -0.279 local terms energy: -68.565723 where: bonds (distance) C4'-P energy: -13.563 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -9.874 tors. eta vs tors. theta energy: -16.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -184.677031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.677031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.677031 (E_RNA) where: Base-Base interactions energy: -125.044 where: short stacking energy: -49.409 Base-Backbone interact. energy: -0.124 local terms energy: -59.508647 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -11.445 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -9.924 tors. eta vs tors. theta energy: -12.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -161.891185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.891185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.891185 (E_RNA) where: Base-Base interactions energy: -108.045 where: short stacking energy: -45.518 Base-Backbone interact. energy: -0.241 local terms energy: -53.604849 where: bonds (distance) C4'-P energy: -8.992 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -14.784 flat angles P-C4'-P energy: -7.075 tors. eta vs tors. theta energy: -9.376 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: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -164.702918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.702918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.702918 (E_RNA) where: Base-Base interactions energy: -102.104 where: short stacking energy: -47.070 Base-Backbone interact. energy: -0.167 local terms energy: -62.431902 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -15.975 flat angles C4'-P-C4' energy: -10.067 flat angles P-C4'-P energy: -10.298 tors. eta vs tors. theta energy: -13.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -159.423163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.423163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.423163 (E_RNA) where: Base-Base interactions energy: -98.132 where: short stacking energy: -56.652 Base-Backbone interact. energy: 0.406 local terms energy: -61.697864 where: bonds (distance) C4'-P energy: -11.048 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -13.980 flat angles P-C4'-P energy: -11.227 tors. eta vs tors. theta energy: -11.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -101.206498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.206498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.206498 (E_RNA) where: Base-Base interactions energy: -61.184 where: short stacking energy: -39.785 Base-Backbone interact. energy: 1.967 local terms energy: -41.988661 where: bonds (distance) C4'-P energy: -10.167 bonds (distance) P-C4' energy: -10.093 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -3.670 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: 7, replica: 7 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -91.691181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.691181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.691181 (E_RNA) where: Base-Base interactions energy: -43.046 where: short stacking energy: -38.883 Base-Backbone interact. energy: -0.255 local terms energy: -48.390429 where: bonds (distance) C4'-P energy: -7.183 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -9.437 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: 8, replica: 9 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -73.733444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.733444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.733444 (E_RNA) where: Base-Base interactions energy: -21.835 where: short stacking energy: -21.534 Base-Backbone interact. energy: -0.325 local terms energy: -51.573891 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -8.389 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -86.349769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.349769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.349769 (E_RNA) where: Base-Base interactions energy: -44.489 where: short stacking energy: -19.764 Base-Backbone interact. energy: -0.111 local terms energy: -41.749772 where: bonds (distance) C4'-P energy: -11.525 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -3.031 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -71.015981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.015981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.015981 (E_RNA) where: Base-Base interactions energy: -27.072 where: short stacking energy: -15.922 Base-Backbone interact. energy: -0.058 local terms energy: -43.885183 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -9.850 flat angles P-C4'-P energy: -7.815 tors. eta vs tors. theta energy: -1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -182.934691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.934691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.934691 (E_RNA) where: Base-Base interactions energy: -109.407 where: short stacking energy: -59.325 Base-Backbone interact. energy: -1.392 local terms energy: -72.135562 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -16.925 flat angles P-C4'-P energy: -11.419 tors. eta vs tors. theta energy: -17.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -176.138016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.138016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.138016 (E_RNA) where: Base-Base interactions energy: -113.270 where: short stacking energy: -50.967 Base-Backbone interact. energy: -0.670 local terms energy: -62.198383 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -8.424 tors. eta vs tors. theta energy: -13.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -163.904235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.904235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.904235 (E_RNA) where: Base-Base interactions energy: -101.053 where: short stacking energy: -47.996 Base-Backbone interact. energy: -0.218 local terms energy: -62.634046 where: bonds (distance) C4'-P energy: -13.359 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -10.376 tors. eta vs tors. theta energy: -11.611 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: 3 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -170.440154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.440154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.440154 (E_RNA) where: Base-Base interactions energy: -103.605 where: short stacking energy: -56.733 Base-Backbone interact. energy: -0.200 local terms energy: -66.635554 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -16.866 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -14.210 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: 459 Temperature: 1.100000 Total energy: -155.135131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.135131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.135131 (E_RNA) where: Base-Base interactions energy: -95.079 where: short stacking energy: -48.771 Base-Backbone interact. energy: 0.509 local terms energy: -60.564748 where: bonds (distance) C4'-P energy: -11.522 bonds (distance) P-C4' energy: -8.512 flat angles C4'-P-C4' energy: -14.204 flat angles P-C4'-P energy: -9.836 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: 6, replica: 7 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -109.726853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.726853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.726853 (E_RNA) where: Base-Base interactions energy: -59.780 where: short stacking energy: -29.286 Base-Backbone interact. energy: -0.300 local terms energy: -49.646468 where: bonds (distance) C4'-P energy: -13.272 bonds (distance) P-C4' energy: -14.331 flat angles C4'-P-C4' energy: -12.152 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -92.669019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.669019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.669019 (E_RNA) where: Base-Base interactions energy: -38.123 where: short stacking energy: -37.479 Base-Backbone interact. energy: -0.249 local terms energy: -54.296875 where: bonds (distance) C4'-P energy: -8.996 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -14.400 flat angles P-C4'-P energy: -10.847 tors. eta vs tors. theta energy: -7.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -76.784613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.784613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.784613 (E_RNA) where: Base-Base interactions energy: -27.606 where: short stacking energy: -25.094 Base-Backbone interact. energy: -0.126 local terms energy: -49.053085 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -12.401 flat angles P-C4'-P energy: -8.589 tors. eta vs tors. theta energy: -0.832 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: 9, replica: 9 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -76.587845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.587845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.587845 (E_RNA) where: Base-Base interactions energy: -26.975 where: short stacking energy: -25.938 Base-Backbone interact. energy: -0.457 local terms energy: -49.155724 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -15.295 flat angles C4'-P-C4' energy: -13.272 flat angles P-C4'-P energy: -8.480 tors. eta vs tors. theta energy: -3.999 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: 8 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -74.871126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.871126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.871126 (E_RNA) where: Base-Base interactions energy: -37.322 where: short stacking energy: -24.602 Base-Backbone interact. energy: -0.168 local terms energy: -37.381348 where: bonds (distance) C4'-P energy: -11.127 bonds (distance) P-C4' energy: -10.266 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: 1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -186.382085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.382085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.382085 (E_RNA) where: Base-Base interactions energy: -114.074 where: short stacking energy: -52.441 Base-Backbone interact. energy: -0.630 local terms energy: -71.677963 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -16.635 flat angles C4'-P-C4' energy: -13.088 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -18.237 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: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -166.520035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.520035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.520035 (E_RNA) where: Base-Base interactions energy: -103.869 where: short stacking energy: -42.483 Base-Backbone interact. energy: -0.998 local terms energy: -61.653161 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -12.125 flat angles P-C4'-P energy: -11.532 tors. eta vs tors. theta energy: -11.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -179.041188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.041188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.041188 (E_RNA) where: Base-Base interactions energy: -114.490 where: short stacking energy: -49.697 Base-Backbone interact. energy: -0.151 local terms energy: -64.400232 where: bonds (distance) C4'-P energy: -10.069 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -15.997 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: -15.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -167.741029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.741029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.741029 (E_RNA) where: Base-Base interactions energy: -101.459 where: short stacking energy: -50.276 Base-Backbone interact. energy: -0.415 local terms energy: -65.867414 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -13.017 flat angles P-C4'-P energy: -10.200 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: 5, replica: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -140.634245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.634245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.634245 (E_RNA) where: Base-Base interactions energy: -83.173 where: short stacking energy: -35.673 Base-Backbone interact. energy: -0.556 local terms energy: -56.904760 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -3.761 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: 7 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -105.231594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.231594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.231594 (E_RNA) where: Base-Base interactions energy: -61.581 where: short stacking energy: -36.059 Base-Backbone interact. energy: 0.400 local terms energy: -44.051015 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -14.076 flat angles C4'-P-C4' energy: -10.901 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -95.741493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.741493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.741493 (E_RNA) where: Base-Base interactions energy: -47.781 where: short stacking energy: -28.378 Base-Backbone interact. energy: -0.114 local terms energy: -47.846678 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -10.314 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -5.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -78.986944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.986944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.986944 (E_RNA) where: Base-Base interactions energy: -29.082 where: short stacking energy: -27.551 Base-Backbone interact. energy: -0.312 local terms energy: -49.592947 where: bonds (distance) C4'-P energy: -12.785 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -4.883 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: 460 Temperature: 1.300000 Total energy: -73.122164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.122164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.122164 (E_RNA) where: Base-Base interactions energy: -37.663 where: short stacking energy: -20.937 Base-Backbone interact. energy: -0.154 local terms energy: -35.305334 where: bonds (distance) C4'-P energy: -9.331 bonds (distance) P-C4' energy: -13.044 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -8.036 tors. eta vs tors. theta energy: 0.883 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: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -80.923927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.923927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.923927 (E_RNA) where: Base-Base interactions energy: -34.840 where: short stacking energy: -30.291 Base-Backbone interact. energy: -0.177 local terms energy: -45.907526 where: bonds (distance) C4'-P energy: -10.495 bonds (distance) P-C4' energy: -8.623 flat angles C4'-P-C4' energy: -10.469 flat angles P-C4'-P energy: -8.178 tors. eta vs tors. theta energy: -8.143 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: 1, replica: 2 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -180.172521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.172521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.172521 (E_RNA) where: Base-Base interactions energy: -112.143 where: short stacking energy: -55.313 Base-Backbone interact. energy: -0.412 local terms energy: -67.617480 where: bonds (distance) C4'-P energy: -13.762 bonds (distance) P-C4' energy: -11.740 flat angles C4'-P-C4' energy: -15.244 flat angles P-C4'-P energy: -9.558 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: 2, replica: 3 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -170.619697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.619697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.619697 (E_RNA) where: Base-Base interactions energy: -104.354 where: short stacking energy: -58.141 Base-Backbone interact. energy: -0.691 local terms energy: -65.574517 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -12.148 flat angles C4'-P-C4' energy: -13.993 flat angles P-C4'-P energy: -13.417 tors. eta vs tors. theta energy: -11.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -169.765017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.765017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.765017 (E_RNA) where: Base-Base interactions energy: -104.014 where: short stacking energy: -47.249 Base-Backbone interact. energy: -0.747 local terms energy: -65.003815 where: bonds (distance) C4'-P energy: -16.196 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -14.115 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -14.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -170.874534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.874534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.874534 (E_RNA) where: Base-Base interactions energy: -106.833 where: short stacking energy: -56.669 Base-Backbone interact. energy: -0.162 local terms energy: -63.879838 where: bonds (distance) C4'-P energy: -14.175 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -10.159 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -13.326 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: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -141.684949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.684949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.684949 (E_RNA) where: Base-Base interactions energy: -77.750 where: short stacking energy: -37.651 Base-Backbone interact. energy: -0.198 local terms energy: -63.736721 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -13.021 flat angles P-C4'-P energy: -10.705 tors. eta vs tors. theta energy: -10.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -94.248529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.248529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.248529 (E_RNA) where: Base-Base interactions energy: -37.910 where: short stacking energy: -20.416 Base-Backbone interact. energy: -0.388 local terms energy: -55.950885 where: bonds (distance) C4'-P energy: -16.092 bonds (distance) P-C4' energy: -12.282 flat angles C4'-P-C4' energy: -11.886 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -6.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -91.611062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.611062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.611062 (E_RNA) where: Base-Base interactions energy: -33.587 where: short stacking energy: -32.793 Base-Backbone interact. energy: -0.156 local terms energy: -57.868339 where: bonds (distance) C4'-P energy: -14.419 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -11.673 tors. eta vs tors. theta energy: -5.727 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: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -83.224336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.224336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.224336 (E_RNA) where: Base-Base interactions energy: -43.794 where: short stacking energy: -24.099 Base-Backbone interact. energy: -0.404 local terms energy: -39.025720 where: bonds (distance) C4'-P energy: -9.080 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -12.813 flat angles P-C4'-P energy: -1.650 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: 9, replica: 6 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -67.473099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.473099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.473099 (E_RNA) where: Base-Base interactions energy: -20.327 where: short stacking energy: -19.207 Base-Backbone interact. energy: -0.153 local terms energy: -46.993570 where: bonds (distance) C4'-P energy: -9.349 bonds (distance) P-C4' energy: -11.149 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -77.964869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.964869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.964869 (E_RNA) where: Base-Base interactions energy: -32.465 where: short stacking energy: -22.062 Base-Backbone interact. energy: -0.677 local terms energy: -44.822656 where: bonds (distance) C4'-P energy: -14.904 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -6.417 tors. eta vs tors. theta energy: -1.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -180.131746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.131746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.131746 (E_RNA) where: Base-Base interactions energy: -112.469 where: short stacking energy: -58.656 Base-Backbone interact. energy: -0.218 local terms energy: -67.445049 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -14.872 flat angles C4'-P-C4' energy: -14.591 flat angles P-C4'-P energy: -9.811 tors. eta vs tors. theta energy: -16.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -174.924804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.924804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.924804 (E_RNA) where: Base-Base interactions energy: -113.787 where: short stacking energy: -48.245 Base-Backbone interact. energy: -0.188 local terms energy: -60.949456 where: bonds (distance) C4'-P energy: -14.461 bonds (distance) P-C4' energy: -11.633 flat angles C4'-P-C4' energy: -13.910 flat angles P-C4'-P energy: -8.557 tors. eta vs tors. theta energy: -12.390 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: 3, replica: 10 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -171.395195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.395195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.395195 (E_RNA) where: Base-Base interactions energy: -105.031 where: short stacking energy: -42.851 Base-Backbone interact. energy: -0.018 local terms energy: -66.346780 where: bonds (distance) C4'-P energy: -13.554 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -13.129 flat angles P-C4'-P energy: -11.573 tors. eta vs tors. theta energy: -11.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -161.550526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.550526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.550526 (E_RNA) where: Base-Base interactions energy: -102.797 where: short stacking energy: -47.795 Base-Backbone interact. energy: 2.245 local terms energy: -60.998259 where: bonds (distance) C4'-P energy: -11.248 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -9.953 tors. eta vs tors. theta energy: -14.085 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: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -146.151662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.151662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.151662 (E_RNA) where: Base-Base interactions energy: -93.952 where: short stacking energy: -51.658 Base-Backbone interact. energy: -0.031 local terms energy: -52.168799 where: bonds (distance) C4'-P energy: -12.399 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -9.387 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: 6, replica: 5 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -98.720915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.720915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.720915 (E_RNA) where: Base-Base interactions energy: -47.871 where: short stacking energy: -28.346 Base-Backbone interact. energy: -0.124 local terms energy: -50.725717 where: bonds (distance) C4'-P energy: -11.911 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -9.855 flat angles P-C4'-P energy: -7.142 tors. eta vs tors. theta energy: -6.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -113.351956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.351956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.351956 (E_RNA) where: Base-Base interactions energy: -67.326 where: short stacking energy: -36.258 Base-Backbone interact. energy: -0.363 local terms energy: -45.662500 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -10.214 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -74.322037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.322037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.322037 (E_RNA) where: Base-Base interactions energy: -29.603 where: short stacking energy: -19.026 Base-Backbone interact. energy: 0.737 local terms energy: -45.456059 where: bonds (distance) C4'-P energy: -10.987 bonds (distance) P-C4' energy: -13.041 flat angles C4'-P-C4' energy: -10.202 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -76.681610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.681610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.681610 (E_RNA) where: Base-Base interactions energy: -24.608 where: short stacking energy: -24.338 Base-Backbone interact. energy: -0.060 local terms energy: -52.013297 where: bonds (distance) C4'-P energy: -11.434 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -12.074 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -7.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -67.334714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.334714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.334714 (E_RNA) where: Base-Base interactions energy: -31.250 where: short stacking energy: -27.912 Base-Backbone interact. energy: -0.955 local terms energy: -35.130089 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -7.067 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -8.720 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: 1, replica: 2 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -177.690137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.690137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.690137 (E_RNA) where: Base-Base interactions energy: -113.524 where: short stacking energy: -52.822 Base-Backbone interact. energy: -0.013 local terms energy: -64.153856 where: bonds (distance) C4'-P energy: -16.121 bonds (distance) P-C4' energy: -12.610 flat angles C4'-P-C4' energy: -15.973 flat angles P-C4'-P energy: -8.166 tors. eta vs tors. theta energy: -11.283 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: 463 Temperature: 0.950000 Total energy: -168.470130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.470130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.470130 (E_RNA) where: Base-Base interactions energy: -96.903 where: short stacking energy: -55.224 Base-Backbone interact. energy: -0.053 local terms energy: -71.514633 where: bonds (distance) C4'-P energy: -15.343 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -10.944 tors. eta vs tors. theta energy: -16.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -170.801988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.801988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.801988 (E_RNA) where: Base-Base interactions energy: -103.330 where: short stacking energy: -51.295 Base-Backbone interact. energy: -0.009 local terms energy: -67.463155 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -15.642 flat angles P-C4'-P energy: -10.075 tors. eta vs tors. theta energy: -11.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -166.472747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.472747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.472747 (E_RNA) where: Base-Base interactions energy: -102.835 where: short stacking energy: -47.167 Base-Backbone interact. energy: -0.688 local terms energy: -62.949400 where: bonds (distance) C4'-P energy: -12.562 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -7.432 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: 5, replica: 4 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -157.767132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.767132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.767132 (E_RNA) where: Base-Base interactions energy: -98.369 where: short stacking energy: -53.287 Base-Backbone interact. energy: 0.135 local terms energy: -59.532787 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -11.633 flat angles C4'-P-C4' energy: -11.743 flat angles P-C4'-P energy: -6.324 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: 6, replica: 5 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -93.353890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.353890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.353890 (E_RNA) where: Base-Base interactions energy: -40.303 where: short stacking energy: -27.468 Base-Backbone interact. energy: -0.173 local terms energy: -52.877169 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -5.990 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: 7 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -87.045275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.045275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.045275 (E_RNA) where: Base-Base interactions energy: -34.846 where: short stacking energy: -34.846 Base-Backbone interact. energy: -0.015 local terms energy: -52.184676 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -15.002 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -7.664 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: 9 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -89.566421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.566421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.566421 (E_RNA) where: Base-Base interactions energy: -40.900 where: short stacking energy: -31.891 Base-Backbone interact. energy: -0.211 local terms energy: -48.455400 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -14.250 flat angles P-C4'-P energy: -6.439 tors. eta vs tors. theta energy: -3.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -83.746002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.746002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.746002 (E_RNA) where: Base-Base interactions energy: -31.588 where: short stacking energy: -31.229 Base-Backbone interact. energy: -0.249 local terms energy: -51.909684 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -11.312 flat angles P-C4'-P energy: -9.062 tors. eta vs tors. theta energy: -5.722 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: 6 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -68.101609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.101609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.101609 (E_RNA) where: Base-Base interactions energy: -22.998 where: short stacking energy: -21.863 Base-Backbone interact. energy: -0.434 local terms energy: -44.669507 where: bonds (distance) C4'-P energy: -8.650 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -11.330 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -175.242186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.242186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.242186 (E_RNA) where: Base-Base interactions energy: -113.542 where: short stacking energy: -47.033 Base-Backbone interact. energy: -0.828 local terms energy: -60.872646 where: bonds (distance) C4'-P energy: -13.413 bonds (distance) P-C4' energy: -15.527 flat angles C4'-P-C4' energy: -10.561 flat angles P-C4'-P energy: -7.889 tors. eta vs tors. theta energy: -13.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -170.630192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.630192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.630192 (E_RNA) where: Base-Base interactions energy: -114.443 where: short stacking energy: -44.590 Base-Backbone interact. energy: -1.159 local terms energy: -55.028476 where: bonds (distance) C4'-P energy: -12.416 bonds (distance) P-C4' energy: -10.399 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -10.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -175.100739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.100739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.100739 (E_RNA) where: Base-Base interactions energy: -106.371 where: short stacking energy: -49.927 Base-Backbone interact. energy: -0.431 local terms energy: -68.298658 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -15.845 flat angles P-C4'-P energy: -5.206 tors. eta vs tors. theta energy: -17.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -157.619058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.619058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.619058 (E_RNA) where: Base-Base interactions energy: -96.003 where: short stacking energy: -47.148 Base-Backbone interact. energy: -0.356 local terms energy: -61.259810 where: bonds (distance) C4'-P energy: -11.774 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -16.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -160.828712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.828712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.828712 (E_RNA) where: Base-Base interactions energy: -98.472 where: short stacking energy: -42.895 Base-Backbone interact. energy: -0.437 local terms energy: -61.920228 where: bonds (distance) C4'-P energy: -14.452 bonds (distance) P-C4' energy: -16.918 flat angles C4'-P-C4' energy: -10.990 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -12.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -87.469338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.469338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.469338 (E_RNA) where: Base-Base interactions energy: -39.130 where: short stacking energy: -21.318 Base-Backbone interact. energy: 0.862 local terms energy: -49.200828 where: bonds (distance) C4'-P energy: -15.120 bonds (distance) P-C4' energy: -11.974 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: 1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -87.427281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.427281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.427281 (E_RNA) where: Base-Base interactions energy: -35.996 where: short stacking energy: -35.964 Base-Backbone interact. energy: -0.091 local terms energy: -51.340294 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -11.372 flat angles C4'-P-C4' energy: -10.004 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -7.482 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: 7 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -78.204170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.204170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.204170 (E_RNA) where: Base-Base interactions energy: -34.864 where: short stacking energy: -31.014 Base-Backbone interact. energy: -0.261 local terms energy: -43.078633 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -10.968 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -3.265 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: 6 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -69.436628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.436628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.436628 (E_RNA) where: Base-Base interactions energy: -26.649 where: short stacking energy: -24.174 Base-Backbone interact. energy: 0.430 local terms energy: -43.217412 where: bonds (distance) C4'-P energy: -10.562 bonds (distance) P-C4' energy: -9.696 flat angles C4'-P-C4' energy: -10.129 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -3.280 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: 10, replica: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -79.445132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.445132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.445132 (E_RNA) where: Base-Base interactions energy: -29.214 where: short stacking energy: -23.173 Base-Backbone interact. energy: -0.167 local terms energy: -50.063195 where: bonds (distance) C4'-P energy: -11.622 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -10.861 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -5.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -181.193763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.193763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.193763 (E_RNA) where: Base-Base interactions energy: -108.504 where: short stacking energy: -56.595 Base-Backbone interact. energy: -0.786 local terms energy: -71.903330 where: bonds (distance) C4'-P energy: -12.561 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -16.069 flat angles P-C4'-P energy: -10.760 tors. eta vs tors. theta energy: -17.233 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: 3 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -164.079408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.079408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.079408 (E_RNA) where: Base-Base interactions energy: -106.559 where: short stacking energy: -43.116 Base-Backbone interact. energy: -0.015 local terms energy: -57.505793 where: bonds (distance) C4'-P energy: -10.442 bonds (distance) P-C4' energy: -11.985 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -14.295 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: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -172.225991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.225991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.225991 (E_RNA) where: Base-Base interactions energy: -115.705 where: short stacking energy: -47.940 Base-Backbone interact. energy: -0.106 local terms energy: -56.414846 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -13.789 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -13.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -165.422217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.422217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.422217 (E_RNA) where: Base-Base interactions energy: -103.454 where: short stacking energy: -43.873 Base-Backbone interact. energy: -0.485 local terms energy: -61.483767 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -8.309 tors. eta vs tors. theta energy: -9.393 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: 1 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -161.041218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.041218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.041218 (E_RNA) where: Base-Base interactions energy: -94.463 where: short stacking energy: -40.133 Base-Backbone interact. energy: -0.129 local terms energy: -66.449250 where: bonds (distance) C4'-P energy: -16.026 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -11.171 tors. eta vs tors. theta energy: -11.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -138.005414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.005414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.005414 (E_RNA) where: Base-Base interactions energy: -83.129 where: short stacking energy: -35.575 Base-Backbone interact. energy: -0.180 local terms energy: -54.696074 where: bonds (distance) C4'-P energy: -10.458 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -9.493 flat angles P-C4'-P energy: -11.494 tors. eta vs tors. theta energy: -10.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -112.411865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.411865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.411865 (E_RNA) where: Base-Base interactions energy: -62.861 where: short stacking energy: -35.198 Base-Backbone interact. energy: -0.219 local terms energy: -49.332353 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -10.154 flat angles C4'-P-C4' energy: -11.717 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -6.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -76.413648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.413648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.413648 (E_RNA) where: Base-Base interactions energy: -37.104 where: short stacking energy: -18.973 Base-Backbone interact. energy: -0.125 local terms energy: -39.184986 where: bonds (distance) C4'-P energy: -10.537 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -6.441 tors. eta vs tors. theta energy: 4.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -87.141462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.141462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.141462 (E_RNA) where: Base-Base interactions energy: -38.678 where: short stacking energy: -31.644 Base-Backbone interact. energy: -0.078 local terms energy: -48.385671 where: bonds (distance) C4'-P energy: -12.043 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -11.851 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -6.803 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: 10, replica: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -70.222918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.222918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.222918 (E_RNA) where: Base-Base interactions energy: -35.324 where: short stacking energy: -24.405 Base-Backbone interact. energy: -0.182 local terms energy: -34.716266 where: bonds (distance) C4'-P energy: -3.992 bonds (distance) P-C4' energy: -11.136 flat angles C4'-P-C4' energy: -11.185 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -2.811 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: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -178.691337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.691337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.691337 (E_RNA) where: Base-Base interactions energy: -111.111 where: short stacking energy: -53.185 Base-Backbone interact. energy: -0.109 local terms energy: -67.471234 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -15.161 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -16.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -169.736148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.736148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.736148 (E_RNA) where: Base-Base interactions energy: -109.344 where: short stacking energy: -44.064 Base-Backbone interact. energy: -0.186 local terms energy: -60.205444 where: bonds (distance) C4'-P energy: -12.241 bonds (distance) P-C4' energy: -16.337 flat angles C4'-P-C4' energy: -10.951 flat angles P-C4'-P energy: -8.429 tors. eta vs tors. theta energy: -12.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -173.645202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.645202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.645202 (E_RNA) where: Base-Base interactions energy: -106.750 where: short stacking energy: -45.781 Base-Backbone interact. energy: -1.119 local terms energy: -65.776189 where: bonds (distance) C4'-P energy: -13.400 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -16.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -174.075554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.075554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.075554 (E_RNA) where: Base-Base interactions energy: -106.180 where: short stacking energy: -51.863 Base-Backbone interact. energy: -0.047 local terms energy: -67.848123 where: bonds (distance) C4'-P energy: -12.806 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -8.476 tors. eta vs tors. theta energy: -19.045 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: 5, replica: 9 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -139.549822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.549822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.549822 (E_RNA) where: Base-Base interactions energy: -80.245 where: short stacking energy: -49.256 Base-Backbone interact. energy: -0.004 local terms energy: -59.301307 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -9.353 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -9.176 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: 6, replica: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -157.231155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.231155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.231155 (E_RNA) where: Base-Base interactions energy: -96.513 where: short stacking energy: -47.334 Base-Backbone interact. energy: -0.117 local terms energy: -60.600967 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -14.890 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -9.358 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: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -129.197840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.197840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.197840 (E_RNA) where: Base-Base interactions energy: -79.430 where: short stacking energy: -35.646 Base-Backbone interact. energy: -0.113 local terms energy: -49.654646 where: bonds (distance) C4'-P energy: -9.688 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -8.780 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -8.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -77.919292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.919292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.919292 (E_RNA) where: Base-Base interactions energy: -37.018 where: short stacking energy: -37.018 Base-Backbone interact. energy: 0.634 local terms energy: -41.536195 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -10.608 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -9.988 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: 466 Temperature: 1.300000 Total energy: -72.647678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.647678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.647678 (E_RNA) where: Base-Base interactions energy: -22.371 where: short stacking energy: -22.371 Base-Backbone interact. energy: -0.222 local terms energy: -50.054392 where: bonds (distance) C4'-P energy: -12.407 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -9.738 flat angles P-C4'-P energy: -11.498 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: 466 Temperature: 1.350000 Total energy: -72.893358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.893358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.893358 (E_RNA) where: Base-Base interactions energy: -27.037 where: short stacking energy: -27.037 Base-Backbone interact. energy: 2.162 local terms energy: -48.018095 where: bonds (distance) C4'-P energy: -11.293 bonds (distance) P-C4' energy: -12.123 flat angles C4'-P-C4' energy: -10.492 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -177.739414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.739414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.739414 (E_RNA) where: Base-Base interactions energy: -104.669 where: short stacking energy: -59.967 Base-Backbone interact. energy: -0.327 local terms energy: -72.744341 where: bonds (distance) C4'-P energy: -14.531 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -8.981 tors. eta vs tors. theta energy: -18.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -168.534263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.534263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.534263 (E_RNA) where: Base-Base interactions energy: -109.342 where: short stacking energy: -51.534 Base-Backbone interact. energy: -0.292 local terms energy: -58.900476 where: bonds (distance) C4'-P energy: -14.514 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -12.409 flat angles P-C4'-P energy: -2.991 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: 3, replica: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -170.857409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.857409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.857409 (E_RNA) where: Base-Base interactions energy: -113.639 where: short stacking energy: -49.778 Base-Backbone interact. energy: -0.865 local terms energy: -56.353728 where: bonds (distance) C4'-P energy: -13.249 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -13.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -166.271001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.271001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.271001 (E_RNA) where: Base-Base interactions energy: -104.456 where: short stacking energy: -48.694 Base-Backbone interact. energy: -0.233 local terms energy: -61.581816 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -13.467 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: 5, replica: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -122.059408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.059408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.059408 (E_RNA) where: Base-Base interactions energy: -69.104 where: short stacking energy: -30.610 Base-Backbone interact. energy: 0.156 local terms energy: -53.111552 where: bonds (distance) C4'-P energy: -13.248 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -8.348 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -148.016168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.016168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.016168 (E_RNA) where: Base-Base interactions energy: -85.362 where: short stacking energy: -53.653 Base-Backbone interact. energy: -0.110 local terms energy: -62.543521 where: bonds (distance) C4'-P energy: -9.521 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -15.569 flat angles P-C4'-P energy: -8.618 tors. eta vs tors. theta energy: -14.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -145.130346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.130346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.130346 (E_RNA) where: Base-Base interactions energy: -97.160 where: short stacking energy: -37.114 Base-Backbone interact. energy: -0.816 local terms energy: -47.153860 where: bonds (distance) C4'-P energy: -10.113 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -10.109 tors. eta vs tors. theta energy: -8.447 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: 467 Temperature: 1.250000 Total energy: -87.457709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.457709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.457709 (E_RNA) where: Base-Base interactions energy: -30.640 where: short stacking energy: -30.433 Base-Backbone interact. energy: -0.026 local terms energy: -56.791975 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -10.723 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -67.264383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.264383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.264383 (E_RNA) where: Base-Base interactions energy: -27.242 where: short stacking energy: -18.713 Base-Backbone interact. energy: -0.293 local terms energy: -39.728849 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -14.176 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: 3.517 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: 467 Temperature: 1.350000 Total energy: -69.414730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.414730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.414730 (E_RNA) where: Base-Base interactions energy: -32.178 where: short stacking energy: -29.512 Base-Backbone interact. energy: 0.079 local terms energy: -37.314892 where: bonds (distance) C4'-P energy: -10.847 bonds (distance) P-C4' energy: -11.805 flat angles C4'-P-C4' energy: -9.952 flat angles P-C4'-P energy: -2.110 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: 1, replica: 4 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -186.815509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.815509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.815509 (E_RNA) where: Base-Base interactions energy: -119.627 where: short stacking energy: -60.086 Base-Backbone interact. energy: -0.833 local terms energy: -66.354847 where: bonds (distance) C4'-P energy: -10.975 bonds (distance) P-C4' energy: -15.870 flat angles C4'-P-C4' energy: -16.996 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -16.146 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: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -190.700439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.700439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.700439 (E_RNA) where: Base-Base interactions energy: -120.474 where: short stacking energy: -62.863 Base-Backbone interact. energy: -0.248 local terms energy: -69.978485 where: bonds (distance) C4'-P energy: -14.860 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -14.766 flat angles P-C4'-P energy: -8.252 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: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -168.303139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.303139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.303139 (E_RNA) where: Base-Base interactions energy: -115.736 where: short stacking energy: -32.403 Base-Backbone interact. energy: -0.034 local terms energy: -52.533324 where: bonds (distance) C4'-P energy: -8.123 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -9.668 tors. eta vs tors. theta energy: -6.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -158.874637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.874637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.874637 (E_RNA) where: Base-Base interactions energy: -94.934 where: short stacking energy: -40.761 Base-Backbone interact. energy: -0.086 local terms energy: -63.854562 where: bonds (distance) C4'-P energy: -13.771 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -13.449 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -13.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -133.693644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.693644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.693644 (E_RNA) where: Base-Base interactions energy: -81.024 where: short stacking energy: -44.216 Base-Backbone interact. energy: 0.355 local terms energy: -53.024104 where: bonds (distance) C4'-P energy: -11.055 bonds (distance) P-C4' energy: -14.479 flat angles C4'-P-C4' energy: -11.422 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: -8.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -136.728815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.728815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.728815 (E_RNA) where: Base-Base interactions energy: -78.159 where: short stacking energy: -48.071 Base-Backbone interact. energy: -0.013 local terms energy: -58.557500 where: bonds (distance) C4'-P energy: -14.204 bonds (distance) P-C4' energy: -14.146 flat angles C4'-P-C4' energy: -12.103 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -12.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -150.476233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.476233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.476233 (E_RNA) where: Base-Base interactions energy: -90.450 where: short stacking energy: -48.722 Base-Backbone interact. energy: 1.014 local terms energy: -61.039740 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -15.947 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: -10.727 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: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -75.367290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.367290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.367290 (E_RNA) where: Base-Base interactions energy: -31.943 where: short stacking energy: -26.417 Base-Backbone interact. energy: 1.434 local terms energy: -44.858974 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -10.012 flat angles C4'-P-C4' energy: -12.566 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: 0.485 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: 9, replica: 8 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -68.807983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.807983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.807983 (E_RNA) where: Base-Base interactions energy: -28.962 where: short stacking energy: -20.533 Base-Backbone interact. energy: 1.903 local terms energy: -41.749129 where: bonds (distance) C4'-P energy: -14.200 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -9.012 flat angles P-C4'-P energy: -8.330 tors. eta vs tors. theta energy: 2.673 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: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -82.106282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.106282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.106282 (E_RNA) where: Base-Base interactions energy: -35.833 where: short stacking energy: -14.919 Base-Backbone interact. energy: -0.248 local terms energy: -46.025337 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -7.492 tors. eta vs tors. theta energy: -1.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -193.085863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.085863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.085863 (E_RNA) where: Base-Base interactions energy: -124.374 where: short stacking energy: -64.700 Base-Backbone interact. energy: -0.466 local terms energy: -68.246176 where: bonds (distance) C4'-P energy: -14.329 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -16.905 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -19.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -180.936262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.936262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.936262 (E_RNA) where: Base-Base interactions energy: -110.742 where: short stacking energy: -57.284 Base-Backbone interact. energy: -0.749 local terms energy: -69.444625 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -12.670 flat angles P-C4'-P energy: -10.656 tors. eta vs tors. theta energy: -17.574 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: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -176.384137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.384137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.384137 (E_RNA) where: Base-Base interactions energy: -105.252 where: short stacking energy: -57.535 Base-Backbone interact. energy: -0.074 local terms energy: -71.058721 where: bonds (distance) C4'-P energy: -15.048 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -9.595 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: 4, replica: 3 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -163.944699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.944699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.944699 (E_RNA) where: Base-Base interactions energy: -106.289 where: short stacking energy: -47.009 Base-Backbone interact. energy: -0.058 local terms energy: -57.598212 where: bonds (distance) C4'-P energy: -9.125 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -15.598 flat angles P-C4'-P energy: -6.446 tors. eta vs tors. theta energy: -13.876 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: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -123.539206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.539206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.539206 (E_RNA) where: Base-Base interactions energy: -67.550 where: short stacking energy: -38.455 Base-Backbone interact. energy: -0.724 local terms energy: -55.264993 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -14.426 flat angles C4'-P-C4' energy: -10.539 flat angles P-C4'-P energy: -10.472 tors. eta vs tors. theta energy: -7.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -148.628752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.628752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.628752 (E_RNA) where: Base-Base interactions energy: -92.183 where: short stacking energy: -52.633 Base-Backbone interact. energy: -0.045 local terms energy: -56.401171 where: bonds (distance) C4'-P energy: -10.271 bonds (distance) P-C4' energy: -10.738 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -15.189 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: 9 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -117.529076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.529076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.529076 (E_RNA) where: Base-Base interactions energy: -58.661 where: short stacking energy: -38.955 Base-Backbone interact. energy: -0.035 local terms energy: -58.833001 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -12.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -78.426979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.426979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.426979 (E_RNA) where: Base-Base interactions energy: -31.161 where: short stacking energy: -27.547 Base-Backbone interact. energy: -0.050 local terms energy: -47.216203 where: bonds (distance) C4'-P energy: -10.367 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -11.478 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -4.628 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: 6 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -67.571589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.571589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.571589 (E_RNA) where: Base-Base interactions energy: -20.734 where: short stacking energy: -18.855 Base-Backbone interact. energy: 1.385 local terms energy: -48.222433 where: bonds (distance) C4'-P energy: -12.002 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: 1.318 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: 469 Temperature: 1.350000 Total energy: -77.261642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.261642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.261642 (E_RNA) where: Base-Base interactions energy: -27.345 where: short stacking energy: -21.996 Base-Backbone interact. energy: -0.722 local terms energy: -49.194893 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -12.936 flat angles C4'-P-C4' energy: -11.561 flat angles P-C4'-P energy: -8.367 tors. eta vs tors. theta energy: -3.884 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: 4 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -171.816407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.816407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.816407 (E_RNA) where: Base-Base interactions energy: -107.404 where: short stacking energy: -55.430 Base-Backbone interact. energy: -0.094 local terms energy: -64.318577 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -13.794 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -15.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -179.017613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.017613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.017613 (E_RNA) where: Base-Base interactions energy: -114.893 where: short stacking energy: -62.458 Base-Backbone interact. energy: -0.001 local terms energy: -64.123345 where: bonds (distance) C4'-P energy: -11.145 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -8.586 tors. eta vs tors. theta energy: -16.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -169.964762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.964762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.964762 (E_RNA) where: Base-Base interactions energy: -101.946 where: short stacking energy: -54.045 Base-Backbone interact. energy: -0.173 local terms energy: -67.846321 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -6.042 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: 4, replica: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -163.688119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.688119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.688119 (E_RNA) where: Base-Base interactions energy: -98.404 where: short stacking energy: -52.416 Base-Backbone interact. energy: -0.560 local terms energy: -64.724102 where: bonds (distance) C4'-P energy: -10.297 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -14.722 flat angles P-C4'-P energy: -8.030 tors. eta vs tors. theta energy: -15.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -155.571253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.571253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.571253 (E_RNA) where: Base-Base interactions energy: -104.794 where: short stacking energy: -54.371 Base-Backbone interact. energy: -0.294 local terms energy: -50.483392 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -8.988 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -13.110 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: 470 Temperature: 1.150000 Total energy: -124.783675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.783675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.783675 (E_RNA) where: Base-Base interactions energy: -68.791 where: short stacking energy: -42.327 Base-Backbone interact. energy: -0.001 local terms energy: -55.991797 where: bonds (distance) C4'-P energy: -10.854 bonds (distance) P-C4' energy: -15.188 flat angles C4'-P-C4' energy: -12.997 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -9.918 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: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -94.738882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.738882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.738882 (E_RNA) where: Base-Base interactions energy: -41.750 where: short stacking energy: -28.532 Base-Backbone interact. energy: 0.079 local terms energy: -53.067941 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -9.491 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: 8, replica: 8 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -89.074406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.074406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.074406 (E_RNA) where: Base-Base interactions energy: -42.214 where: short stacking energy: -25.318 Base-Backbone interact. energy: -0.362 local terms energy: -46.498484 where: bonds (distance) C4'-P energy: -9.587 bonds (distance) P-C4' energy: -15.874 flat angles C4'-P-C4' energy: -8.860 flat angles P-C4'-P energy: -7.379 tors. eta vs tors. theta energy: -4.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -70.290862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.290862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.290862 (E_RNA) where: Base-Base interactions energy: -26.007 where: short stacking energy: -26.003 Base-Backbone interact. energy: 0.066 local terms energy: -44.350418 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -90.191649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.191649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.191649 (E_RNA) where: Base-Base interactions energy: -36.423 where: short stacking energy: -35.379 Base-Backbone interact. energy: -0.388 local terms energy: -53.380902 where: bonds (distance) C4'-P energy: -9.949 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -9.237 tors. eta vs tors. theta energy: -6.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -179.385446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.385446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.385446 (E_RNA) where: Base-Base interactions energy: -120.604 where: short stacking energy: -44.467 Base-Backbone interact. energy: -0.258 local terms energy: -58.522852 where: bonds (distance) C4'-P energy: -13.083 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -16.104 flat angles P-C4'-P energy: -10.187 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -179.204159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.204159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.204159 (E_RNA) where: Base-Base interactions energy: -111.547 where: short stacking energy: -59.302 Base-Backbone interact. energy: -0.005 local terms energy: -67.652343 where: bonds (distance) C4'-P energy: -13.389 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -13.545 flat angles P-C4'-P energy: -7.403 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: 3, replica: 10 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -171.241832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.241832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.241832 (E_RNA) where: Base-Base interactions energy: -111.203 where: short stacking energy: -51.512 Base-Backbone interact. energy: -1.324 local terms energy: -58.715056 where: bonds (distance) C4'-P energy: -10.367 bonds (distance) P-C4' energy: -12.412 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -11.650 tors. eta vs tors. theta energy: -9.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -162.316119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.316119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.316119 (E_RNA) where: Base-Base interactions energy: -96.926 where: short stacking energy: -53.740 Base-Backbone interact. energy: -0.151 local terms energy: -65.238710 where: bonds (distance) C4'-P energy: -13.074 bonds (distance) P-C4' energy: -10.458 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -12.253 tors. eta vs tors. theta energy: -14.023 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: 5, replica: 1 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -163.699085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.699085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.699085 (E_RNA) where: Base-Base interactions energy: -112.026 where: short stacking energy: -45.174 Base-Backbone interact. energy: 0.484 local terms energy: -52.156923 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -11.130 flat angles C4'-P-C4' energy: -11.752 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -6.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -110.431050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.431050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.431050 (E_RNA) where: Base-Base interactions energy: -57.905 where: short stacking energy: -32.068 Base-Backbone interact. energy: -0.021 local terms energy: -52.505769 where: bonds (distance) C4'-P energy: -13.040 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -15.012 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -92.136757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.136757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.136757 (E_RNA) where: Base-Base interactions energy: -47.865 where: short stacking energy: -33.850 Base-Backbone interact. energy: -0.050 local terms energy: -44.222266 where: bonds (distance) C4'-P energy: -13.431 bonds (distance) P-C4' energy: -11.661 flat angles C4'-P-C4' energy: -3.574 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -9.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -109.302606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.302606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.302606 (E_RNA) where: Base-Base interactions energy: -60.867 where: short stacking energy: -30.155 Base-Backbone interact. energy: -0.167 local terms energy: -48.267950 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -2.419 flat angles P-C4'-P energy: -9.702 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -78.520528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.520528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.520528 (E_RNA) where: Base-Base interactions energy: -51.500 where: short stacking energy: -27.427 Base-Backbone interact. energy: -0.287 local terms energy: -26.733307 where: bonds (distance) C4'-P energy: -7.644 bonds (distance) P-C4' energy: -5.753 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -8.254 tors. eta vs tors. theta energy: 1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -74.877086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.877086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.877086 (E_RNA) where: Base-Base interactions energy: -24.110 where: short stacking energy: -24.110 Base-Backbone interact. energy: -0.165 local terms energy: -50.602200 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -12.147 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -179.275494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.275494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.275494 (E_RNA) where: Base-Base interactions energy: -114.471 where: short stacking energy: -59.989 Base-Backbone interact. energy: 0.166 local terms energy: -64.970659 where: bonds (distance) C4'-P energy: -15.447 bonds (distance) P-C4' energy: -9.397 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -10.399 tors. eta vs tors. theta energy: -15.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -176.054497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.054497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.054497 (E_RNA) where: Base-Base interactions energy: -119.746 where: short stacking energy: -39.946 Base-Backbone interact. energy: -0.231 local terms energy: -56.077409 where: bonds (distance) C4'-P energy: -15.288 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -10.245 tors. eta vs tors. theta energy: -7.964 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: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -176.126781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.126781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.126781 (E_RNA) where: Base-Base interactions energy: -115.819 where: short stacking energy: -50.796 Base-Backbone interact. energy: -0.004 local terms energy: -60.304163 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -13.158 flat angles C4'-P-C4' energy: -14.620 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -12.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -154.881735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.881735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.881735 (E_RNA) where: Base-Base interactions energy: -114.738 where: short stacking energy: -45.493 Base-Backbone interact. energy: -0.080 local terms energy: -40.063617 where: bonds (distance) C4'-P energy: -8.603 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -10.490 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -165.987453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.987453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.987453 (E_RNA) where: Base-Base interactions energy: -111.411 where: short stacking energy: -45.381 Base-Backbone interact. energy: -0.392 local terms energy: -54.184394 where: bonds (distance) C4'-P energy: -8.301 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -13.507 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -8.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -99.024643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.024643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.024643 (E_RNA) where: Base-Base interactions energy: -47.944 where: short stacking energy: -26.064 Base-Backbone interact. energy: -0.077 local terms energy: -51.003965 where: bonds (distance) C4'-P energy: -13.957 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -16.420 flat angles P-C4'-P energy: -7.289 tors. eta vs tors. theta energy: -1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -108.485729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.485729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.485729 (E_RNA) where: Base-Base interactions energy: -46.463 where: short stacking energy: -32.452 Base-Backbone interact. energy: -0.052 local terms energy: -61.970546 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -9.423 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: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -90.003399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.003399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.003399 (E_RNA) where: Base-Base interactions energy: -39.334 where: short stacking energy: -36.835 Base-Backbone interact. energy: 0.047 local terms energy: -50.716507 where: bonds (distance) C4'-P energy: -11.070 bonds (distance) P-C4' energy: -13.390 flat angles C4'-P-C4' energy: -11.172 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -7.810 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: 9, replica: 7 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -80.987637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.987637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.987637 (E_RNA) where: Base-Base interactions energy: -39.087 where: short stacking energy: -28.001 Base-Backbone interact. energy: -0.083 local terms energy: -41.817513 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -8.166 flat angles C4'-P-C4' energy: -11.540 flat angles P-C4'-P energy: -4.253 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: 10, replica: 8 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -79.556225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.556225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.556225 (E_RNA) where: Base-Base interactions energy: -38.974 where: short stacking energy: -20.472 Base-Backbone interact. energy: -1.738 local terms energy: -38.844481 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -5.422 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -3.508 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: 1, replica: 2 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -183.898609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.898609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.898609 (E_RNA) where: Base-Base interactions energy: -118.690 where: short stacking energy: -59.159 Base-Backbone interact. energy: -0.006 local terms energy: -65.202616 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -16.080 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -15.601 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: 2, replica: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -177.045938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.045938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.045938 (E_RNA) where: Base-Base interactions energy: -107.654 where: short stacking energy: -56.427 Base-Backbone interact. energy: 0.084 local terms energy: -69.475692 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -13.507 flat angles P-C4'-P energy: -8.908 tors. eta vs tors. theta energy: -17.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -173.342248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.342248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.342248 (E_RNA) where: Base-Base interactions energy: -107.029 where: short stacking energy: -54.170 Base-Backbone interact. energy: -0.228 local terms energy: -66.086178 where: bonds (distance) C4'-P energy: -11.779 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -6.699 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: 4, replica: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -168.574364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.574364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.574364 (E_RNA) where: Base-Base interactions energy: -109.601 where: short stacking energy: -40.517 Base-Backbone interact. energy: -1.064 local terms energy: -57.908980 where: bonds (distance) C4'-P energy: -15.306 bonds (distance) P-C4' energy: -12.575 flat angles C4'-P-C4' energy: -13.187 flat angles P-C4'-P energy: -8.073 tors. eta vs tors. theta energy: -8.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -154.795174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.795174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.795174 (E_RNA) where: Base-Base interactions energy: -89.916 where: short stacking energy: -48.435 Base-Backbone interact. energy: -0.340 local terms energy: -64.538617 where: bonds (distance) C4'-P energy: -13.274 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -14.752 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -12.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -108.430074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.430074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.430074 (E_RNA) where: Base-Base interactions energy: -57.553 where: short stacking energy: -38.269 Base-Backbone interact. energy: -0.108 local terms energy: -50.769160 where: bonds (distance) C4'-P energy: -9.143 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -6.388 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: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -76.011268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.011268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.011268 (E_RNA) where: Base-Base interactions energy: -36.270 where: short stacking energy: -23.206 Base-Backbone interact. energy: -0.867 local terms energy: -38.873799 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -13.438 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: 0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -84.216673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.216673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.216673 (E_RNA) where: Base-Base interactions energy: -34.993 where: short stacking energy: -22.939 Base-Backbone interact. energy: -0.103 local terms energy: -49.120792 where: bonds (distance) C4'-P energy: -10.554 bonds (distance) P-C4' energy: -14.289 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -5.304 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: 9 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -76.812253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.812253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.812253 (E_RNA) where: Base-Base interactions energy: -27.202 where: short stacking energy: -27.202 Base-Backbone interact. energy: -0.062 local terms energy: -49.548637 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -6.755 tors. eta vs tors. theta energy: -5.746 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: 10, replica: 8 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -71.546637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.546637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.546637 (E_RNA) where: Base-Base interactions energy: -25.915 where: short stacking energy: -21.849 Base-Backbone interact. energy: 0.534 local terms energy: -46.165370 where: bonds (distance) C4'-P energy: -12.918 bonds (distance) P-C4' energy: -10.470 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -3.236 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: 1, replica: 2 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -189.884383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.884383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.884383 (E_RNA) where: Base-Base interactions energy: -120.352 where: short stacking energy: -65.587 Base-Backbone interact. energy: -0.160 local terms energy: -69.371946 where: bonds (distance) C4'-P energy: -12.285 bonds (distance) P-C4' energy: -13.887 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -19.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -177.597663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.597663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.597663 (E_RNA) where: Base-Base interactions energy: -114.926 where: short stacking energy: -54.976 Base-Backbone interact. energy: -0.412 local terms energy: -62.259902 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -11.058 flat angles C4'-P-C4' energy: -16.235 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -12.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -181.130498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.130498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.130498 (E_RNA) where: Base-Base interactions energy: -119.135 where: short stacking energy: -53.055 Base-Backbone interact. energy: -0.729 local terms energy: -61.266627 where: bonds (distance) C4'-P energy: -14.862 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -11.691 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -14.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -167.449930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.449930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.449930 (E_RNA) where: Base-Base interactions energy: -110.325 where: short stacking energy: -47.932 Base-Backbone interact. energy: -0.156 local terms energy: -56.968714 where: bonds (distance) C4'-P energy: -13.596 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -14.678 flat angles P-C4'-P energy: -8.299 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: 5, replica: 10 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -138.095641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.095641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.095641 (E_RNA) where: Base-Base interactions energy: -76.825 where: short stacking energy: -36.524 Base-Backbone interact. energy: -0.661 local terms energy: -60.609052 where: bonds (distance) C4'-P energy: -14.230 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -16.358 flat angles P-C4'-P energy: -6.588 tors. eta vs tors. theta energy: -8.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -88.569696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.569696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.569696 (E_RNA) where: Base-Base interactions energy: -32.387 where: short stacking energy: -30.505 Base-Backbone interact. energy: -0.009 local terms energy: -56.174026 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -10.892 flat angles P-C4'-P energy: -8.929 tors. eta vs tors. theta energy: -10.136 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: 7 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -96.955386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.955386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.955386 (E_RNA) where: Base-Base interactions energy: -40.674 where: short stacking energy: -40.674 Base-Backbone interact. energy: -0.810 local terms energy: -55.471201 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -12.032 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -9.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -90.316046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.316046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.316046 (E_RNA) where: Base-Base interactions energy: -33.116 where: short stacking energy: -33.116 Base-Backbone interact. energy: -0.009 local terms energy: -57.190893 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -14.151 flat angles P-C4'-P energy: -7.252 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: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -74.770555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.770555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.770555 (E_RNA) where: Base-Base interactions energy: -26.146 where: short stacking energy: -20.146 Base-Backbone interact. energy: -0.318 local terms energy: -48.307472 where: bonds (distance) C4'-P energy: -11.157 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -10.238 flat angles P-C4'-P energy: -10.076 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -72.766087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.766087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.766087 (E_RNA) where: Base-Base interactions energy: -24.825 where: short stacking energy: -23.948 Base-Backbone interact. energy: 0.384 local terms energy: -48.325695 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -16.333 flat angles C4'-P-C4' energy: -11.008 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -5.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -177.179291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.179291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.179291 (E_RNA) where: Base-Base interactions energy: -119.406 where: short stacking energy: -59.545 Base-Backbone interact. energy: -0.107 local terms energy: -57.666746 where: bonds (distance) C4'-P energy: -9.411 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -11.003 flat angles P-C4'-P energy: -8.029 tors. eta vs tors. theta energy: -16.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -178.616956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.616956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.616956 (E_RNA) where: Base-Base interactions energy: -109.406 where: short stacking energy: -61.589 Base-Backbone interact. energy: -0.384 local terms energy: -68.826838 where: bonds (distance) C4'-P energy: -12.819 bonds (distance) P-C4' energy: -11.382 flat angles C4'-P-C4' energy: -15.514 flat angles P-C4'-P energy: -11.092 tors. eta vs tors. theta energy: -18.020 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: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -168.050828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.050828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.050828 (E_RNA) where: Base-Base interactions energy: -103.772 where: short stacking energy: -51.661 Base-Backbone interact. energy: -0.118 local terms energy: -64.161442 where: bonds (distance) C4'-P energy: -15.663 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -12.890 flat angles P-C4'-P energy: -12.438 tors. eta vs tors. theta energy: -12.052 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: 4 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -161.851331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.851331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.851331 (E_RNA) where: Base-Base interactions energy: -102.489 where: short stacking energy: -45.454 Base-Backbone interact. energy: -0.179 local terms energy: -59.183063 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -14.623 flat angles C4'-P-C4' energy: -12.856 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -13.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -161.127578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.127578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.127578 (E_RNA) where: Base-Base interactions energy: -101.170 where: short stacking energy: -53.457 Base-Backbone interact. energy: 1.158 local terms energy: -61.115106 where: bonds (distance) C4'-P energy: -11.803 bonds (distance) P-C4' energy: -16.381 flat angles C4'-P-C4' energy: -11.409 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -14.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -87.293083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.293083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.293083 (E_RNA) where: Base-Base interactions energy: -35.193 where: short stacking energy: -32.439 Base-Backbone interact. energy: -0.019 local terms energy: -52.080833 where: bonds (distance) C4'-P energy: -14.706 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -9.434 flat angles P-C4'-P energy: -6.070 tors. eta vs tors. theta energy: -7.937 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: 6 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -82.974618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.974618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.974618 (E_RNA) where: Base-Base interactions energy: -30.769 where: short stacking energy: -24.751 Base-Backbone interact. energy: -0.380 local terms energy: -51.825280 where: bonds (distance) C4'-P energy: -11.558 bonds (distance) P-C4' energy: -13.893 flat angles C4'-P-C4' energy: -13.238 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -2.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -77.642981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.642981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.642981 (E_RNA) where: Base-Base interactions energy: -23.629 where: short stacking energy: -21.936 Base-Backbone interact. energy: -0.011 local terms energy: -54.003077 where: bonds (distance) C4'-P energy: -14.576 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -15.197 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -77.923336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.923336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.923336 (E_RNA) where: Base-Base interactions energy: -33.846 where: short stacking energy: -24.628 Base-Backbone interact. energy: -0.245 local terms energy: -43.833023 where: bonds (distance) C4'-P energy: -13.336 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -4.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -78.734391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.734391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.734391 (E_RNA) where: Base-Base interactions energy: -35.644 where: short stacking energy: -21.140 Base-Backbone interact. energy: -0.307 local terms energy: -42.782852 where: bonds (distance) C4'-P energy: -10.869 bonds (distance) P-C4' energy: -11.990 flat angles C4'-P-C4' energy: -13.282 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: 0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -182.056290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.056290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.056290 (E_RNA) where: Base-Base interactions energy: -112.635 where: short stacking energy: -57.886 Base-Backbone interact. energy: 0.618 local terms energy: -70.039544 where: bonds (distance) C4'-P energy: -11.671 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -11.706 tors. eta vs tors. theta energy: -15.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -185.458494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.458494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.458494 (E_RNA) where: Base-Base interactions energy: -115.004 where: short stacking energy: -58.479 Base-Backbone interact. energy: -0.717 local terms energy: -69.738146 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -15.128 flat angles P-C4'-P energy: -7.092 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: 3, replica: 1 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -176.492463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.492463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.492463 (E_RNA) where: Base-Base interactions energy: -104.088 where: short stacking energy: -53.306 Base-Backbone interact. energy: -0.060 local terms energy: -72.343843 where: bonds (distance) C4'-P energy: -15.873 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -15.661 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: -15.642 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: 4 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -172.858929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.858929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.858929 (E_RNA) where: Base-Base interactions energy: -109.591 where: short stacking energy: -53.441 Base-Backbone interact. energy: 0.208 local terms energy: -63.475244 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -14.814 flat angles P-C4'-P energy: -8.913 tors. eta vs tors. theta energy: -14.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -170.200861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.200861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.200861 (E_RNA) where: Base-Base interactions energy: -104.228 where: short stacking energy: -52.817 Base-Backbone interact. energy: -0.083 local terms energy: -65.889951 where: bonds (distance) C4'-P energy: -11.642 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -13.129 flat angles P-C4'-P energy: -7.739 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: 6, replica: 7 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -97.002045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.002045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.002045 (E_RNA) where: Base-Base interactions energy: -40.102 where: short stacking energy: -40.102 Base-Backbone interact. energy: -0.102 local terms energy: -56.798409 where: bonds (distance) C4'-P energy: -9.328 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -11.930 flat angles P-C4'-P energy: -11.232 tors. eta vs tors. theta energy: -10.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -83.984156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.984156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.984156 (E_RNA) where: Base-Base interactions energy: -36.125 where: short stacking energy: -30.994 Base-Backbone interact. energy: -0.008 local terms energy: -47.851174 where: bonds (distance) C4'-P energy: -11.853 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -76.426252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.426252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.426252 (E_RNA) where: Base-Base interactions energy: -31.882 where: short stacking energy: -18.716 Base-Backbone interact. energy: -0.416 local terms energy: -44.127796 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -67.241242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.241242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.241242 (E_RNA) where: Base-Base interactions energy: -26.525 where: short stacking energy: -26.525 Base-Backbone interact. energy: -0.200 local terms energy: -40.516798 where: bonds (distance) C4'-P energy: -9.595 bonds (distance) P-C4' energy: -10.493 flat angles C4'-P-C4' energy: -10.413 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -0.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -63.835873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.835873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.835873 (E_RNA) where: Base-Base interactions energy: -20.528 where: short stacking energy: -20.528 Base-Backbone interact. energy: -1.120 local terms energy: -42.188656 where: bonds (distance) C4'-P energy: -6.435 bonds (distance) P-C4' energy: -10.896 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -9.688 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -194.702913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.702913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.702913 (E_RNA) where: Base-Base interactions energy: -127.600 where: short stacking energy: -59.465 Base-Backbone interact. energy: 0.069 local terms energy: -67.171678 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -10.586 flat angles C4'-P-C4' energy: -15.700 flat angles P-C4'-P energy: -10.258 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: 2, replica: 2 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -184.483381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.483381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.483381 (E_RNA) where: Base-Base interactions energy: -109.223 where: short stacking energy: -60.114 Base-Backbone interact. energy: -0.596 local terms energy: -74.664653 where: bonds (distance) C4'-P energy: -14.337 bonds (distance) P-C4' energy: -16.904 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -11.671 tors. eta vs tors. theta energy: -19.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -173.365618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.365618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.365618 (E_RNA) where: Base-Base interactions energy: -106.904 where: short stacking energy: -54.505 Base-Backbone interact. energy: 0.408 local terms energy: -66.869922 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -8.625 tors. eta vs tors. theta energy: -17.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -157.097414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.097414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.097414 (E_RNA) where: Base-Base interactions energy: -108.706 where: short stacking energy: -52.961 Base-Backbone interact. energy: -0.009 local terms energy: -48.382516 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -10.018 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -12.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -161.622689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.622689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.622689 (E_RNA) where: Base-Base interactions energy: -97.530 where: short stacking energy: -45.429 Base-Backbone interact. energy: -0.132 local terms energy: -63.960579 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -12.673 flat angles P-C4'-P energy: -11.550 tors. eta vs tors. theta energy: -10.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -87.109101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.109101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.109101 (E_RNA) where: Base-Base interactions energy: -38.726 where: short stacking energy: -37.420 Base-Backbone interact. energy: 2.996 local terms energy: -51.379327 where: bonds (distance) C4'-P energy: -10.894 bonds (distance) P-C4' energy: -11.800 flat angles C4'-P-C4' energy: -9.728 flat angles P-C4'-P energy: -7.623 tors. eta vs tors. theta energy: -11.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -78.742356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.742356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.742356 (E_RNA) where: Base-Base interactions energy: -28.910 where: short stacking energy: -24.016 Base-Backbone interact. energy: -0.004 local terms energy: -49.828503 where: bonds (distance) C4'-P energy: -10.992 bonds (distance) P-C4' energy: -14.530 flat angles C4'-P-C4' energy: -10.632 flat angles P-C4'-P energy: -9.829 tors. eta vs tors. theta energy: -3.845 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: 9 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -70.892752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.892752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.892752 (E_RNA) where: Base-Base interactions energy: -29.004 where: short stacking energy: -21.935 Base-Backbone interact. energy: -0.121 local terms energy: -41.768378 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -11.368 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -9.376 tors. eta vs tors. theta energy: 2.840 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: 6 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -72.149379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.149379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.149379 (E_RNA) where: Base-Base interactions energy: -24.601 where: short stacking energy: -24.601 Base-Backbone interact. energy: -0.089 local terms energy: -47.459303 where: bonds (distance) C4'-P energy: -11.124 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -11.315 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -4.506 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: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -71.153453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.153453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.153453 (E_RNA) where: Base-Base interactions energy: -39.906 where: short stacking energy: -13.367 Base-Backbone interact. energy: -0.227 local terms energy: -31.020576 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: 3.230 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: 3 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -191.719156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.719156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.719156 (E_RNA) where: Base-Base interactions energy: -127.231 where: short stacking energy: -59.612 Base-Backbone interact. energy: -0.414 local terms energy: -64.074211 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -16.351 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: -14.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -174.531306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.531306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.531306 (E_RNA) where: Base-Base interactions energy: -109.849 where: short stacking energy: -57.717 Base-Backbone interact. energy: -0.094 local terms energy: -64.587387 where: bonds (distance) C4'-P energy: -9.927 bonds (distance) P-C4' energy: -14.406 flat angles C4'-P-C4' energy: -15.354 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -16.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -179.171084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.171084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.171084 (E_RNA) where: Base-Base interactions energy: -117.329 where: short stacking energy: -53.688 Base-Backbone interact. energy: -0.956 local terms energy: -60.886187 where: bonds (distance) C4'-P energy: -14.962 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -12.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -169.943226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.943226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.943226 (E_RNA) where: Base-Base interactions energy: -105.351 where: short stacking energy: -55.448 Base-Backbone interact. energy: -0.010 local terms energy: -64.582408 where: bonds (distance) C4'-P energy: -8.293 bonds (distance) P-C4' energy: -16.003 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -12.323 tors. eta vs tors. theta energy: -15.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -151.952303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.952303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.952303 (E_RNA) where: Base-Base interactions energy: -95.784 where: short stacking energy: -47.581 Base-Backbone interact. energy: 0.106 local terms energy: -56.273755 where: bonds (distance) C4'-P energy: -7.980 bonds (distance) P-C4' energy: -15.871 flat angles C4'-P-C4' energy: -11.785 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -13.249 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: 5 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -96.487767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.487767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.487767 (E_RNA) where: Base-Base interactions energy: -47.982 where: short stacking energy: -23.644 Base-Backbone interact. energy: -0.330 local terms energy: -48.176537 where: bonds (distance) C4'-P energy: -12.616 bonds (distance) P-C4' energy: -11.869 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -82.347049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.347049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.347049 (E_RNA) where: Base-Base interactions energy: -32.048 where: short stacking energy: -32.048 Base-Backbone interact. energy: -0.009 local terms energy: -50.289832 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -10.806 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -10.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -82.819545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.819545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.819545 (E_RNA) where: Base-Base interactions energy: -37.151 where: short stacking energy: -30.708 Base-Backbone interact. energy: -0.078 local terms energy: -45.590422 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -10.617 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: 1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -76.418755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.418755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.418755 (E_RNA) where: Base-Base interactions energy: -28.676 where: short stacking energy: -28.676 Base-Backbone interact. energy: -0.076 local terms energy: -47.666378 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -12.090 flat angles P-C4'-P energy: -8.443 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -68.104286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.104286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.104286 (E_RNA) where: Base-Base interactions energy: -25.338 where: short stacking energy: -23.897 Base-Backbone interact. energy: -1.080 local terms energy: -41.685925 where: bonds (distance) C4'-P energy: -14.195 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -9.586 tors. eta vs tors. theta energy: 0.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -189.480075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.480075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.480075 (E_RNA) where: Base-Base interactions energy: -122.933 where: short stacking energy: -58.242 Base-Backbone interact. energy: -0.791 local terms energy: -65.756130 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -14.368 flat angles P-C4'-P energy: -9.979 tors. eta vs tors. theta energy: -14.274 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: 2, replica: 1 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -176.695448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.695448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.695448 (E_RNA) where: Base-Base interactions energy: -108.291 where: short stacking energy: -56.600 Base-Backbone interact. energy: -0.001 local terms energy: -68.402837 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -15.814 flat angles P-C4'-P energy: -8.763 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: 3, replica: 2 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -167.731255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.731255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.731255 (E_RNA) where: Base-Base interactions energy: -100.622 where: short stacking energy: -44.222 Base-Backbone interact. energy: -0.719 local terms energy: -66.389975 where: bonds (distance) C4'-P energy: -14.710 bonds (distance) P-C4' energy: -15.869 flat angles C4'-P-C4' energy: -13.786 flat angles P-C4'-P energy: -11.639 tors. eta vs tors. theta energy: -10.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -155.028320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.028320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.028320 (E_RNA) where: Base-Base interactions energy: -99.682 where: short stacking energy: -46.886 Base-Backbone interact. energy: -0.752 local terms energy: -54.593778 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -8.437 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: 5, replica: 10 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -156.375712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.375712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.375712 (E_RNA) where: Base-Base interactions energy: -87.427 where: short stacking energy: -47.915 Base-Backbone interact. energy: -0.015 local terms energy: -68.934442 where: bonds (distance) C4'-P energy: -15.137 bonds (distance) P-C4' energy: -13.914 flat angles C4'-P-C4' energy: -11.358 flat angles P-C4'-P energy: -12.611 tors. eta vs tors. theta energy: -15.914 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: 479 Temperature: 1.150000 Total energy: -92.550170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.550170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.550170 (E_RNA) where: Base-Base interactions energy: -42.037 where: short stacking energy: -25.417 Base-Backbone interact. energy: 1.948 local terms energy: -52.461087 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -1.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -89.969724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.969724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.969724 (E_RNA) where: Base-Base interactions energy: -51.173 where: short stacking energy: -15.922 Base-Backbone interact. energy: -0.267 local terms energy: -38.528977 where: bonds (distance) C4'-P energy: -12.186 bonds (distance) P-C4' energy: -10.146 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -102.186560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.186560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.186560 (E_RNA) where: Base-Base interactions energy: -52.427 where: short stacking energy: -35.264 Base-Backbone interact. energy: -0.024 local terms energy: -49.734811 where: bonds (distance) C4'-P energy: -10.462 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -9.694 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -7.936 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: 479 Temperature: 1.300000 Total energy: -76.716297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.716297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.716297 (E_RNA) where: Base-Base interactions energy: -32.270 where: short stacking energy: -25.806 Base-Backbone interact. energy: 0.248 local terms energy: -44.694086 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -6.989 tors. eta vs tors. theta energy: -3.777 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: 10, replica: 6 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -79.436929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.436929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.436929 (E_RNA) where: Base-Base interactions energy: -28.744 where: short stacking energy: -28.744 Base-Backbone interact. energy: -0.006 local terms energy: -50.686739 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -11.811 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -6.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -176.669093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.669093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.669093 (E_RNA) where: Base-Base interactions energy: -111.767 where: short stacking energy: -55.771 Base-Backbone interact. energy: -0.217 local terms energy: -64.685263 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -10.077 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -8.124 tors. eta vs tors. theta energy: -16.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -175.766069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.766069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.766069 (E_RNA) where: Base-Base interactions energy: -109.771 where: short stacking energy: -57.201 Base-Backbone interact. energy: -0.712 local terms energy: -65.283169 where: bonds (distance) C4'-P energy: -13.762 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -12.644 flat angles P-C4'-P energy: -9.119 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: 3, replica: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -174.337081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.337081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.337081 (E_RNA) where: Base-Base interactions energy: -110.731 where: short stacking energy: -49.691 Base-Backbone interact. energy: -0.766 local terms energy: -62.839895 where: bonds (distance) C4'-P energy: -9.296 bonds (distance) P-C4' energy: -15.005 flat angles C4'-P-C4' energy: -14.994 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -16.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -159.705899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.705899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.705899 (E_RNA) where: Base-Base interactions energy: -103.327 where: short stacking energy: -54.091 Base-Backbone interact. energy: -0.124 local terms energy: -56.254499 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -11.323 flat angles C4'-P-C4' energy: -10.235 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -16.438 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: 480 Temperature: 1.100000 Total energy: -168.715980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.715980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.715980 (E_RNA) where: Base-Base interactions energy: -104.019 where: short stacking energy: -48.884 Base-Backbone interact. energy: -0.578 local terms energy: -64.118692 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -14.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -100.400011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.400011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.400011 (E_RNA) where: Base-Base interactions energy: -51.924 where: short stacking energy: -32.605 Base-Backbone interact. energy: 1.922 local terms energy: -50.398242 where: bonds (distance) C4'-P energy: -12.425 bonds (distance) P-C4' energy: -14.626 flat angles C4'-P-C4' energy: -9.809 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -102.749816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.749816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.749816 (E_RNA) where: Base-Base interactions energy: -50.939 where: short stacking energy: -39.616 Base-Backbone interact. energy: -0.199 local terms energy: -51.611992 where: bonds (distance) C4'-P energy: -10.823 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -11.825 flat angles P-C4'-P energy: -9.749 tors. eta vs tors. theta energy: -6.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -90.663400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.663400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.663400 (E_RNA) where: Base-Base interactions energy: -42.825 where: short stacking energy: -21.457 Base-Backbone interact. energy: -0.846 local terms energy: -46.992604 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -6.350 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: 9, replica: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -71.994935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.994935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.994935 (E_RNA) where: Base-Base interactions energy: -27.452 where: short stacking energy: -24.386 Base-Backbone interact. energy: -0.108 local terms energy: -44.434619 where: bonds (distance) C4'-P energy: -10.536 bonds (distance) P-C4' energy: -7.629 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -4.865 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: 10, replica: 6 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -79.276382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.276382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.276382 (E_RNA) where: Base-Base interactions energy: -29.862 where: short stacking energy: -29.862 Base-Backbone interact. energy: -0.001 local terms energy: -49.414053 where: bonds (distance) C4'-P energy: -14.155 bonds (distance) P-C4' energy: -9.431 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -5.877 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: 481 Temperature: 0.900000 Total energy: -170.097045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.097045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.097045 (E_RNA) where: Base-Base interactions energy: -107.443 where: short stacking energy: -54.089 Base-Backbone interact. energy: -0.062 local terms energy: -62.592188 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -13.890 flat angles C4'-P-C4' energy: -16.373 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -15.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -175.729891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.729891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.729891 (E_RNA) where: Base-Base interactions energy: -112.097 where: short stacking energy: -46.068 Base-Backbone interact. energy: -0.100 local terms energy: -63.532778 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -15.224 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -14.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -166.474610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.474610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.474610 (E_RNA) where: Base-Base interactions energy: -101.856 where: short stacking energy: -47.363 Base-Backbone interact. energy: -0.407 local terms energy: -64.212258 where: bonds (distance) C4'-P energy: -16.232 bonds (distance) P-C4' energy: -11.393 flat angles C4'-P-C4' energy: -14.421 flat angles P-C4'-P energy: -9.720 tors. eta vs tors. theta energy: -12.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -166.642631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.642631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.642631 (E_RNA) where: Base-Base interactions energy: -99.568 where: short stacking energy: -46.538 Base-Backbone interact. energy: -0.144 local terms energy: -66.930702 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -16.223 flat angles P-C4'-P energy: -12.083 tors. eta vs tors. theta energy: -12.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -158.931132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.931132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.931132 (E_RNA) where: Base-Base interactions energy: -94.895 where: short stacking energy: -46.672 Base-Backbone interact. energy: -0.309 local terms energy: -63.727015 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -12.931 flat angles P-C4'-P energy: -8.436 tors. eta vs tors. theta energy: -15.290 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: 8 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -84.166978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.166978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.166978 (E_RNA) where: Base-Base interactions energy: -44.231 where: short stacking energy: -27.300 Base-Backbone interact. energy: -0.839 local terms energy: -39.096554 where: bonds (distance) C4'-P energy: -10.024 bonds (distance) P-C4' energy: -11.242 flat angles C4'-P-C4' energy: -10.777 flat angles P-C4'-P energy: -5.427 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: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -85.843490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.843490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.843490 (E_RNA) where: Base-Base interactions energy: -36.331 where: short stacking energy: -33.305 Base-Backbone interact. energy: -0.271 local terms energy: -49.241437 where: bonds (distance) C4'-P energy: -10.930 bonds (distance) P-C4' energy: -12.653 flat angles C4'-P-C4' energy: -11.371 flat angles P-C4'-P energy: -7.713 tors. eta vs tors. theta energy: -6.575 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: 481 Temperature: 1.250000 Total energy: -80.951761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.951761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.951761 (E_RNA) where: Base-Base interactions energy: -28.599 where: short stacking energy: -22.155 Base-Backbone interact. energy: -0.210 local terms energy: -52.142935 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -12.554 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -10.640 tors. eta vs tors. theta energy: -2.881 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: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -78.757506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.757506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.757506 (E_RNA) where: Base-Base interactions energy: -29.878 where: short stacking energy: -29.878 Base-Backbone interact. energy: 0.964 local terms energy: -49.843288 where: bonds (distance) C4'-P energy: -12.966 bonds (distance) P-C4' energy: -11.359 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -7.633 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: 481 Temperature: 1.350000 Total energy: -66.696800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.696800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.696800 (E_RNA) where: Base-Base interactions energy: -21.963 where: short stacking energy: -20.160 Base-Backbone interact. energy: 0.728 local terms energy: -45.462373 where: bonds (distance) C4'-P energy: -12.585 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -7.504 tors. eta vs tors. theta energy: 1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -189.445104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.445104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.445104 (E_RNA) where: Base-Base interactions energy: -113.647 where: short stacking energy: -61.656 Base-Backbone interact. energy: -0.595 local terms energy: -75.203267 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -17.383 flat angles C4'-P-C4' energy: -16.376 flat angles P-C4'-P energy: -10.715 tors. eta vs tors. theta energy: -18.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -175.107421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.107421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.107421 (E_RNA) where: Base-Base interactions energy: -112.622 where: short stacking energy: -54.093 Base-Backbone interact. energy: -0.250 local terms energy: -62.235296 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -16.312 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -14.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -165.382241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.382241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.382241 (E_RNA) where: Base-Base interactions energy: -101.543 where: short stacking energy: -50.295 Base-Backbone interact. energy: -0.624 local terms energy: -63.215277 where: bonds (distance) C4'-P energy: -12.859 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -10.479 tors. eta vs tors. theta energy: -14.714 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: 4, replica: 3 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -159.163635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.163635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.163635 (E_RNA) where: Base-Base interactions energy: -96.276 where: short stacking energy: -46.416 Base-Backbone interact. energy: -0.047 local terms energy: -62.841042 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -12.092 flat angles C4'-P-C4' energy: -14.534 flat angles P-C4'-P energy: -8.643 tors. eta vs tors. theta energy: -12.034 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: 10 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -156.439640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.439640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.439640 (E_RNA) where: Base-Base interactions energy: -100.967 where: short stacking energy: -45.587 Base-Backbone interact. energy: -0.765 local terms energy: -54.708259 where: bonds (distance) C4'-P energy: -13.912 bonds (distance) P-C4' energy: -9.447 flat angles C4'-P-C4' energy: -14.076 flat angles P-C4'-P energy: -7.751 tors. eta vs tors. theta energy: -9.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -91.703766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.703766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.703766 (E_RNA) where: Base-Base interactions energy: -36.690 where: short stacking energy: -30.133 Base-Backbone interact. energy: -0.208 local terms energy: -54.806334 where: bonds (distance) C4'-P energy: -15.070 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -7.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -113.509136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.509136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.509136 (E_RNA) where: Base-Base interactions energy: -61.928 where: short stacking energy: -41.943 Base-Backbone interact. energy: -0.023 local terms energy: -51.558278 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -6.075 tors. eta vs tors. theta energy: -6.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -78.043443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.043443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.043443 (E_RNA) where: Base-Base interactions energy: -26.983 where: short stacking energy: -26.126 Base-Backbone interact. energy: -0.117 local terms energy: -50.943610 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -16.243 flat angles C4'-P-C4' energy: -9.078 flat angles P-C4'-P energy: -8.803 tors. eta vs tors. theta energy: -2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -73.078920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.078920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.078920 (E_RNA) where: Base-Base interactions energy: -28.454 where: short stacking energy: -27.294 Base-Backbone interact. energy: -0.119 local terms energy: -44.505619 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -11.160 flat angles C4'-P-C4' energy: -11.224 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -68.462905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.462905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.462905 (E_RNA) where: Base-Base interactions energy: -21.286 where: short stacking energy: -20.481 Base-Backbone interact. energy: -0.084 local terms energy: -47.092732 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -13.037 flat angles P-C4'-P energy: -6.890 tors. eta vs tors. theta energy: -2.130 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: 2 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -197.397508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.397508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.397508 (E_RNA) where: Base-Base interactions energy: -115.984 where: short stacking energy: -64.849 Base-Backbone interact. energy: -0.294 local terms energy: -81.119279 where: bonds (distance) C4'-P energy: -16.378 bonds (distance) P-C4' energy: -17.846 flat angles C4'-P-C4' energy: -15.018 flat angles P-C4'-P energy: -12.772 tors. eta vs tors. theta energy: -19.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -167.568378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.568378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.568378 (E_RNA) where: Base-Base interactions energy: -105.485 where: short stacking energy: -44.772 Base-Backbone interact. energy: -1.088 local terms energy: -60.995589 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -14.356 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -13.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -167.979041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.979041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.979041 (E_RNA) where: Base-Base interactions energy: -112.100 where: short stacking energy: -51.587 Base-Backbone interact. energy: -0.325 local terms energy: -55.554674 where: bonds (distance) C4'-P energy: -10.893 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -10.325 flat angles P-C4'-P energy: -9.042 tors. eta vs tors. theta energy: -12.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -159.196591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.196591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.196591 (E_RNA) where: Base-Base interactions energy: -100.630 where: short stacking energy: -45.869 Base-Backbone interact. energy: -0.030 local terms energy: -58.536082 where: bonds (distance) C4'-P energy: -11.178 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -15.548 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -7.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -164.171492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.171492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.171492 (E_RNA) where: Base-Base interactions energy: -111.140 where: short stacking energy: -45.599 Base-Backbone interact. energy: -0.868 local terms energy: -52.163390 where: bonds (distance) C4'-P energy: -14.412 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -11.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -105.429462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.429462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.429462 (E_RNA) where: Base-Base interactions energy: -63.005 where: short stacking energy: -37.319 Base-Backbone interact. energy: -0.001 local terms energy: -42.423782 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -10.119 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -7.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -80.842765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.842765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.842765 (E_RNA) where: Base-Base interactions energy: -38.298 where: short stacking energy: -37.313 Base-Backbone interact. energy: -0.061 local terms energy: -42.483248 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -10.774 flat angles C4'-P-C4' energy: -9.989 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -6.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -77.406958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.406958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.406958 (E_RNA) where: Base-Base interactions energy: -26.797 where: short stacking energy: -26.716 Base-Backbone interact. energy: -0.348 local terms energy: -50.261259 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -14.556 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -77.532952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.532952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.532952 (E_RNA) where: Base-Base interactions energy: -32.906 where: short stacking energy: -30.994 Base-Backbone interact. energy: -0.420 local terms energy: -44.206821 where: bonds (distance) C4'-P energy: -8.254 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -10.275 flat angles P-C4'-P energy: -8.439 tors. eta vs tors. theta energy: -3.937 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: 483 Temperature: 1.350000 Total energy: -76.233447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.233447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.233447 (E_RNA) where: Base-Base interactions energy: -31.530 where: short stacking energy: -24.098 Base-Backbone interact. energy: 3.165 local terms energy: -47.868580 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -10.748 flat angles C4'-P-C4' energy: -11.653 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -4.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -178.903978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.903978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.903978 (E_RNA) where: Base-Base interactions energy: -108.032 where: short stacking energy: -60.035 Base-Backbone interact. energy: -0.087 local terms energy: -70.785173 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -15.545 flat angles C4'-P-C4' energy: -13.892 flat angles P-C4'-P energy: -9.583 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: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -167.507762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.507762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.507762 (E_RNA) where: Base-Base interactions energy: -106.748 where: short stacking energy: -53.498 Base-Backbone interact. energy: -0.779 local terms energy: -59.980756 where: bonds (distance) C4'-P energy: -14.528 bonds (distance) P-C4' energy: -12.325 flat angles C4'-P-C4' energy: -14.168 flat angles P-C4'-P energy: -8.590 tors. eta vs tors. theta energy: -10.370 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: 1 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -162.619297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.619297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.619297 (E_RNA) where: Base-Base interactions energy: -105.479 where: short stacking energy: -49.102 Base-Backbone interact. energy: -0.013 local terms energy: -57.127106 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -7.903 flat angles C4'-P-C4' energy: -14.693 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -13.591 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: 10 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -169.935913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.935913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.935913 (E_RNA) where: Base-Base interactions energy: -107.545 where: short stacking energy: -52.788 Base-Backbone interact. energy: -0.012 local terms energy: -62.379404 where: bonds (distance) C4'-P energy: -14.329 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -15.404 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: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -150.435201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.435201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.435201 (E_RNA) where: Base-Base interactions energy: -92.967 where: short stacking energy: -41.451 Base-Backbone interact. energy: 0.155 local terms energy: -57.622859 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -10.401 tors. eta vs tors. theta energy: -8.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -92.018832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.018832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.018832 (E_RNA) where: Base-Base interactions energy: -32.591 where: short stacking energy: -31.564 Base-Backbone interact. energy: -0.014 local terms energy: -59.413246 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -14.584 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -7.388 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: 7, replica: 6 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -90.292361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.292361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.292361 (E_RNA) where: Base-Base interactions energy: -36.611 where: short stacking energy: -35.462 Base-Backbone interact. energy: -0.038 local terms energy: -53.643658 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -9.625 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: -7.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -88.990660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.990660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.990660 (E_RNA) where: Base-Base interactions energy: -50.436 where: short stacking energy: -28.577 Base-Backbone interact. energy: 0.035 local terms energy: -38.589111 where: bonds (distance) C4'-P energy: -11.336 bonds (distance) P-C4' energy: -8.263 flat angles C4'-P-C4' energy: -10.304 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -73.881648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.881648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.881648 (E_RNA) where: Base-Base interactions energy: -33.431 where: short stacking energy: -16.698 Base-Backbone interact. energy: -0.038 local terms energy: -40.412145 where: bonds (distance) C4'-P energy: -15.421 bonds (distance) P-C4' energy: -10.957 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -7.188 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: 10, replica: 9 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -75.339789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.339789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.339789 (E_RNA) where: Base-Base interactions energy: -25.093 where: short stacking energy: -18.382 Base-Backbone interact. energy: -0.237 local terms energy: -50.009648 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -12.078 flat angles P-C4'-P energy: -10.507 tors. eta vs tors. theta energy: -1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -185.710801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.710801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.710801 (E_RNA) where: Base-Base interactions energy: -118.455 where: short stacking energy: -53.532 Base-Backbone interact. energy: -0.469 local terms energy: -66.786958 where: bonds (distance) C4'-P energy: -14.200 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -14.071 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -17.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -164.144187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.144187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.144187 (E_RNA) where: Base-Base interactions energy: -105.399 where: short stacking energy: -45.356 Base-Backbone interact. energy: -0.535 local terms energy: -58.210809 where: bonds (distance) C4'-P energy: -14.863 bonds (distance) P-C4' energy: -13.880 flat angles C4'-P-C4' energy: -11.523 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -11.216 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: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -154.963510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.963510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.963510 (E_RNA) where: Base-Base interactions energy: -97.178 where: short stacking energy: -42.118 Base-Backbone interact. energy: -1.049 local terms energy: -56.737035 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -10.975 flat angles P-C4'-P energy: -7.874 tors. eta vs tors. theta energy: -13.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -165.621058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.621058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.621058 (E_RNA) where: Base-Base interactions energy: -99.882 where: short stacking energy: -44.013 Base-Backbone interact. energy: -0.405 local terms energy: -65.333852 where: bonds (distance) C4'-P energy: -15.972 bonds (distance) P-C4' energy: -12.828 flat angles C4'-P-C4' energy: -14.018 flat angles P-C4'-P energy: -10.224 tors. eta vs tors. theta energy: -12.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -141.986598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.986598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.986598 (E_RNA) where: Base-Base interactions energy: -80.529 where: short stacking energy: -38.711 Base-Backbone interact. energy: 1.008 local terms energy: -62.466307 where: bonds (distance) C4'-P energy: -16.312 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -14.262 flat angles P-C4'-P energy: -8.365 tors. eta vs tors. theta energy: -10.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -73.076280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.076280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.076280 (E_RNA) where: Base-Base interactions energy: -29.977 where: short stacking energy: -17.804 Base-Backbone interact. energy: -1.116 local terms energy: -41.983324 where: bonds (distance) C4'-P energy: -9.029 bonds (distance) P-C4' energy: -12.003 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -9.565 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: 7, replica: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -85.677252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.677252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.677252 (E_RNA) where: Base-Base interactions energy: -29.309 where: short stacking energy: -29.309 Base-Backbone interact. energy: -0.033 local terms energy: -56.335917 where: bonds (distance) C4'-P energy: -14.184 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -12.244 flat angles P-C4'-P energy: -9.942 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -75.809071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.809071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.809071 (E_RNA) where: Base-Base interactions energy: -31.660 where: short stacking energy: -19.660 Base-Backbone interact. energy: -0.093 local terms energy: -44.056195 where: bonds (distance) C4'-P energy: -7.244 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -10.028 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: -1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -66.590309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.590309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.590309 (E_RNA) where: Base-Base interactions energy: -25.687 where: short stacking energy: -24.367 Base-Backbone interact. energy: -0.850 local terms energy: -40.052981 where: bonds (distance) C4'-P energy: -11.638 bonds (distance) P-C4' energy: -10.384 flat angles C4'-P-C4' energy: -11.103 flat angles P-C4'-P energy: -8.137 tors. eta vs tors. theta energy: 1.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -75.339594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.339594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.339594 (E_RNA) where: Base-Base interactions energy: -34.915 where: short stacking energy: -27.958 Base-Backbone interact. energy: -0.294 local terms energy: -40.130971 where: bonds (distance) C4'-P energy: -9.725 bonds (distance) P-C4' energy: -9.983 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -11.793 tors. eta vs tors. theta energy: -1.877 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: 1 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -170.573519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.573519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.573519 (E_RNA) where: Base-Base interactions energy: -103.007 where: short stacking energy: -51.694 Base-Backbone interact. energy: -0.007 local terms energy: -67.558810 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -15.349 flat angles P-C4'-P energy: -11.674 tors. eta vs tors. theta energy: -12.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -181.194096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.194096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.194096 (E_RNA) where: Base-Base interactions energy: -120.095 where: short stacking energy: -51.059 Base-Backbone interact. energy: -0.266 local terms energy: -60.833465 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -11.538 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -12.042 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: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -171.186362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.186362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.186362 (E_RNA) where: Base-Base interactions energy: -107.141 where: short stacking energy: -59.225 Base-Backbone interact. energy: -0.001 local terms energy: -64.044292 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -11.698 flat angles C4'-P-C4' energy: -14.727 flat angles P-C4'-P energy: -6.654 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: 4, replica: 4 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -166.761500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.761500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.761500 (E_RNA) where: Base-Base interactions energy: -103.971 where: short stacking energy: -51.253 Base-Backbone interact. energy: -0.114 local terms energy: -62.677144 where: bonds (distance) C4'-P energy: -9.278 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -12.281 flat angles P-C4'-P energy: -11.227 tors. eta vs tors. theta energy: -14.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -159.268962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.268962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.268962 (E_RNA) where: Base-Base interactions energy: -100.586 where: short stacking energy: -53.694 Base-Backbone interact. energy: -0.030 local terms energy: -58.652944 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -9.858 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -10.000 tors. eta vs tors. theta energy: -12.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -92.184131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.184131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.184131 (E_RNA) where: Base-Base interactions energy: -47.320 where: short stacking energy: -34.870 Base-Backbone interact. energy: -0.105 local terms energy: -44.758708 where: bonds (distance) C4'-P energy: -7.004 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -9.481 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -78.805924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.805924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.805924 (E_RNA) where: Base-Base interactions energy: -33.106 where: short stacking energy: -20.575 Base-Backbone interact. energy: -1.462 local terms energy: -44.237869 where: bonds (distance) C4'-P energy: -10.337 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: 3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -81.371663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.371663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.371663 (E_RNA) where: Base-Base interactions energy: -20.793 where: short stacking energy: -20.793 Base-Backbone interact. energy: -0.082 local terms energy: -60.496390 where: bonds (distance) C4'-P energy: -12.250 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -10.286 tors. eta vs tors. theta energy: -9.964 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: 9 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -74.462291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.462291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.462291 (E_RNA) where: Base-Base interactions energy: -32.814 where: short stacking energy: -28.212 Base-Backbone interact. energy: 0.938 local terms energy: -42.586340 where: bonds (distance) C4'-P energy: -8.938 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -9.105 tors. eta vs tors. theta energy: -5.658 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: 10, replica: 7 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -75.588914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.588914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.588914 (E_RNA) where: Base-Base interactions energy: -32.636 where: short stacking energy: -23.873 Base-Backbone interact. energy: -0.007 local terms energy: -42.945951 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -8.518 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -8.179 tors. eta vs tors. theta energy: -4.312 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: 1, replica: 1 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -171.101740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.101740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.101740 (E_RNA) where: Base-Base interactions energy: -106.375 where: short stacking energy: -43.184 Base-Backbone interact. energy: -0.696 local terms energy: -64.031007 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -15.914 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -15.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -167.563928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.563928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.563928 (E_RNA) where: Base-Base interactions energy: -107.510 where: short stacking energy: -53.224 Base-Backbone interact. energy: -0.738 local terms energy: -59.315213 where: bonds (distance) C4'-P energy: -15.041 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -13.186 flat angles P-C4'-P energy: -1.989 tors. eta vs tors. theta energy: -14.580 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: 3, replica: 2 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -168.087091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.087091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.087091 (E_RNA) where: Base-Base interactions energy: -101.489 where: short stacking energy: -54.294 Base-Backbone interact. energy: -0.057 local terms energy: -66.541385 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -16.746 flat angles P-C4'-P energy: -8.611 tors. eta vs tors. theta energy: -12.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -163.909544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.909544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.909544 (E_RNA) where: Base-Base interactions energy: -97.088 where: short stacking energy: -44.695 Base-Backbone interact. energy: -0.007 local terms energy: -66.814029 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -8.622 tors. eta vs tors. theta energy: -13.678 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: 4 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -164.212519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.212519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.212519 (E_RNA) where: Base-Base interactions energy: -102.567 where: short stacking energy: -45.683 Base-Backbone interact. energy: -0.351 local terms energy: -61.293699 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -11.080 flat angles C4'-P-C4' energy: -14.157 flat angles P-C4'-P energy: -12.588 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: 6, replica: 6 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -96.321305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.321305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.321305 (E_RNA) where: Base-Base interactions energy: -44.692 where: short stacking energy: -28.099 Base-Backbone interact. energy: -0.057 local terms energy: -51.572178 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -9.910 flat angles P-C4'-P energy: -8.517 tors. eta vs tors. theta energy: -3.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -77.985100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.985100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.985100 (E_RNA) where: Base-Base interactions energy: -26.974 where: short stacking energy: -26.974 Base-Backbone interact. energy: -0.088 local terms energy: -50.923075 where: bonds (distance) C4'-P energy: -13.156 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -9.099 flat angles P-C4'-P energy: -10.823 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: 8, replica: 9 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -80.988440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.988440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.988440 (E_RNA) where: Base-Base interactions energy: -31.881 where: short stacking energy: -27.846 Base-Backbone interact. energy: -0.370 local terms energy: -48.737157 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -14.902 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: 1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -77.209340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.209340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.209340 (E_RNA) where: Base-Base interactions energy: -25.898 where: short stacking energy: -25.898 Base-Backbone interact. energy: 0.961 local terms energy: -52.272666 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -12.237 flat angles C4'-P-C4' energy: -12.429 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -5.744 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: 487 Temperature: 1.350000 Total energy: -69.190869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.190869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.190869 (E_RNA) where: Base-Base interactions energy: -26.136 where: short stacking energy: -25.136 Base-Backbone interact. energy: -0.178 local terms energy: -42.876987 where: bonds (distance) C4'-P energy: -12.922 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -9.791 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -1.938 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: 1 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -179.053830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.053830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.053830 (E_RNA) where: Base-Base interactions energy: -118.066 where: short stacking energy: -43.743 Base-Backbone interact. energy: -0.112 local terms energy: -60.875088 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -15.316 flat angles C4'-P-C4' energy: -11.116 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -11.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -181.372649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.372649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.372649 (E_RNA) where: Base-Base interactions energy: -111.334 where: short stacking energy: -53.942 Base-Backbone interact. energy: -0.001 local terms energy: -70.037267 where: bonds (distance) C4'-P energy: -12.631 bonds (distance) P-C4' energy: -15.809 flat angles C4'-P-C4' energy: -15.001 flat angles P-C4'-P energy: -7.439 tors. eta vs tors. theta energy: -19.158 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: 10 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -178.691620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.691620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.691620 (E_RNA) where: Base-Base interactions energy: -117.038 where: short stacking energy: -45.431 Base-Backbone interact. energy: -0.368 local terms energy: -61.285358 where: bonds (distance) C4'-P energy: -14.702 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -11.269 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: -13.164 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: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -167.681004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.681004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.681004 (E_RNA) where: Base-Base interactions energy: -105.799 where: short stacking energy: -51.231 Base-Backbone interact. energy: -0.475 local terms energy: -61.407495 where: bonds (distance) C4'-P energy: -10.466 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -11.473 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: -16.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -160.244652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.244652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.244652 (E_RNA) where: Base-Base interactions energy: -91.810 where: short stacking energy: -42.639 Base-Backbone interact. energy: -0.247 local terms energy: -68.187001 where: bonds (distance) C4'-P energy: -14.353 bonds (distance) P-C4' energy: -17.377 flat angles C4'-P-C4' energy: -13.468 flat angles P-C4'-P energy: -7.708 tors. eta vs tors. theta energy: -15.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -86.455405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.455405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.455405 (E_RNA) where: Base-Base interactions energy: -40.082 where: short stacking energy: -26.923 Base-Backbone interact. energy: 0.328 local terms energy: -46.700882 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -10.408 flat angles P-C4'-P energy: -6.407 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -92.581285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.581285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.581285 (E_RNA) where: Base-Base interactions energy: -41.823 where: short stacking energy: -18.762 Base-Backbone interact. energy: -0.043 local terms energy: -50.715096 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -10.762 flat angles P-C4'-P energy: -6.588 tors. eta vs tors. theta energy: -6.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -74.171920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.171920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.171920 (E_RNA) where: Base-Base interactions energy: -25.076 where: short stacking energy: -21.083 Base-Backbone interact. energy: -0.466 local terms energy: -48.629659 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -11.852 flat angles P-C4'-P energy: -9.965 tors. eta vs tors. theta energy: 3.900 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: 7 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -73.273656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.273656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.273656 (E_RNA) where: Base-Base interactions energy: -35.693 where: short stacking energy: -22.309 Base-Backbone interact. energy: -0.269 local terms energy: -37.311293 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -14.072 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -7.097 tors. eta vs tors. theta energy: 2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -65.368042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.368042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.368042 (E_RNA) where: Base-Base interactions energy: -17.433 where: short stacking energy: -17.218 Base-Backbone interact. energy: 0.962 local terms energy: -48.897049 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -15.562 flat angles P-C4'-P energy: -10.299 tors. eta vs tors. theta energy: 2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -176.146161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.146161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.146161 (E_RNA) where: Base-Base interactions energy: -104.610 where: short stacking energy: -55.708 Base-Backbone interact. energy: -0.061 local terms energy: -71.475486 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -12.797 flat angles C4'-P-C4' energy: -15.875 flat angles P-C4'-P energy: -9.910 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: 2, replica: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -186.425895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.425895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.425895 (E_RNA) where: Base-Base interactions energy: -122.204 where: short stacking energy: -56.511 Base-Backbone interact. energy: -0.261 local terms energy: -63.960355 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -11.772 flat angles C4'-P-C4' energy: -15.526 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -15.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -170.756236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.756236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.756236 (E_RNA) where: Base-Base interactions energy: -112.944 where: short stacking energy: -44.409 Base-Backbone interact. energy: -0.689 local terms energy: -57.124005 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -10.303 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -12.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -161.773176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.773176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.773176 (E_RNA) where: Base-Base interactions energy: -107.884 where: short stacking energy: -45.647 Base-Backbone interact. energy: -0.968 local terms energy: -52.921421 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -13.151 flat angles P-C4'-P energy: -8.594 tors. eta vs tors. theta energy: -7.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -162.358381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.358381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.358381 (E_RNA) where: Base-Base interactions energy: -104.186 where: short stacking energy: -47.883 Base-Backbone interact. energy: -0.206 local terms energy: -57.965897 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -13.748 flat angles C4'-P-C4' energy: -14.292 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -87.201281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.201281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.201281 (E_RNA) where: Base-Base interactions energy: -31.565 where: short stacking energy: -29.152 Base-Backbone interact. energy: -0.008 local terms energy: -55.628019 where: bonds (distance) C4'-P energy: -15.161 bonds (distance) P-C4' energy: -11.967 flat angles C4'-P-C4' energy: -13.016 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -10.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -76.195395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.195395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.195395 (E_RNA) where: Base-Base interactions energy: -41.087 where: short stacking energy: -20.364 Base-Backbone interact. energy: -0.065 local terms energy: -35.043258 where: bonds (distance) C4'-P energy: -7.264 bonds (distance) P-C4' energy: -13.847 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: 0.743 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: 8, replica: 7 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -76.415233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.415233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.415233 (E_RNA) where: Base-Base interactions energy: -36.341 where: short stacking energy: -26.078 Base-Backbone interact. energy: 0.865 local terms energy: -40.939240 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -13.421 flat angles C4'-P-C4' energy: -8.519 flat angles P-C4'-P energy: -6.493 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -77.320031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.320031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.320031 (E_RNA) where: Base-Base interactions energy: -27.426 where: short stacking energy: -19.756 Base-Backbone interact. energy: 0.687 local terms energy: -50.581377 where: bonds (distance) C4'-P energy: -15.335 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -11.916 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: 10, replica: 5 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -65.368944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.368944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.368944 (E_RNA) where: Base-Base interactions energy: -15.858 where: short stacking energy: -15.240 Base-Backbone interact. energy: -0.159 local terms energy: -49.351977 where: bonds (distance) C4'-P energy: -15.741 bonds (distance) P-C4' energy: -10.232 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -1.939 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: 10 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -176.536045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.536045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.536045 (E_RNA) where: Base-Base interactions energy: -110.090 where: short stacking energy: -50.730 Base-Backbone interact. energy: -0.926 local terms energy: -65.520006 where: bonds (distance) C4'-P energy: -15.989 bonds (distance) P-C4' energy: -15.558 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -12.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -180.178036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.178036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.178036 (E_RNA) where: Base-Base interactions energy: -114.916 where: short stacking energy: -61.124 Base-Backbone interact. energy: -0.707 local terms energy: -64.554799 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -12.779 flat angles C4'-P-C4' energy: -14.043 flat angles P-C4'-P energy: -6.445 tors. eta vs tors. theta energy: -17.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -183.912087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.912087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.912087 (E_RNA) where: Base-Base interactions energy: -132.534 where: short stacking energy: -49.948 Base-Backbone interact. energy: 2.156 local terms energy: -53.533834 where: bonds (distance) C4'-P energy: -11.752 bonds (distance) P-C4' energy: -7.615 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -4.836 tors. eta vs tors. theta energy: -15.746 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: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -176.926018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.926018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.926018 (E_RNA) where: Base-Base interactions energy: -120.820 where: short stacking energy: -46.200 Base-Backbone interact. energy: -0.626 local terms energy: -55.479375 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -11.777 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -14.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -169.099206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.099206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.099206 (E_RNA) where: Base-Base interactions energy: -99.987 where: short stacking energy: -53.256 Base-Backbone interact. energy: -0.435 local terms energy: -68.677162 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -15.172 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -12.032 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: 6 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -96.054406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.054406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.054406 (E_RNA) where: Base-Base interactions energy: -39.722 where: short stacking energy: -31.454 Base-Backbone interact. energy: -0.037 local terms energy: -56.295294 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -4.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -81.063243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.063243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.063243 (E_RNA) where: Base-Base interactions energy: -34.625 where: short stacking energy: -24.253 Base-Backbone interact. energy: -0.324 local terms energy: -46.114354 where: bonds (distance) C4'-P energy: -8.757 bonds (distance) P-C4' energy: -15.236 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -7.881 tors. eta vs tors. theta energy: -0.961 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: 9 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -80.533183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.533183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.533183 (E_RNA) where: Base-Base interactions energy: -42.672 where: short stacking energy: -23.391 Base-Backbone interact. energy: -0.777 local terms energy: -37.084633 where: bonds (distance) C4'-P energy: -11.124 bonds (distance) P-C4' energy: -9.912 flat angles C4'-P-C4' energy: -13.431 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: 1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -80.812320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.812320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.812320 (E_RNA) where: Base-Base interactions energy: -26.601 where: short stacking energy: -20.627 Base-Backbone interact. energy: -0.685 local terms energy: -53.526223 where: bonds (distance) C4'-P energy: -15.555 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -10.894 flat angles P-C4'-P energy: -9.272 tors. eta vs tors. theta energy: -3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -74.354523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.354523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.354523 (E_RNA) where: Base-Base interactions energy: -29.532 where: short stacking energy: -29.532 Base-Backbone interact. energy: -0.000 local terms energy: -44.822120 where: bonds (distance) C4'-P energy: -11.577 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -11.329 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -5.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -165.940377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.940377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.940377 (E_RNA) where: Base-Base interactions energy: -102.878 where: short stacking energy: -47.877 Base-Backbone interact. energy: -0.014 local terms energy: -63.047869 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -14.721 flat angles P-C4'-P energy: -7.557 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: 2, replica: 3 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -184.704107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.704107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.704107 (E_RNA) where: Base-Base interactions energy: -120.164 where: short stacking energy: -44.714 Base-Backbone interact. energy: -0.047 local terms energy: -64.493508 where: bonds (distance) C4'-P energy: -11.120 bonds (distance) P-C4' energy: -15.435 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -10.421 tors. eta vs tors. theta energy: -15.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -174.075940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.075940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.075940 (E_RNA) where: Base-Base interactions energy: -113.548 where: short stacking energy: -44.590 Base-Backbone interact. energy: -0.559 local terms energy: -59.968803 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -16.752 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -11.986 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: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -173.772695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.772695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.772695 (E_RNA) where: Base-Base interactions energy: -109.500 where: short stacking energy: -52.142 Base-Backbone interact. energy: -0.244 local terms energy: -64.028959 where: bonds (distance) C4'-P energy: -12.929 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -8.474 tors. eta vs tors. theta energy: -16.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -166.822611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.822611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.822611 (E_RNA) where: Base-Base interactions energy: -109.636 where: short stacking energy: -48.530 Base-Backbone interact. energy: -0.642 local terms energy: -56.544555 where: bonds (distance) C4'-P energy: -9.564 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -14.473 flat angles P-C4'-P energy: -7.984 tors. eta vs tors. theta energy: -11.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -84.634955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.634955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.634955 (E_RNA) where: Base-Base interactions energy: -30.436 where: short stacking energy: -30.436 Base-Backbone interact. energy: -0.100 local terms energy: -54.099329 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -9.118 tors. eta vs tors. theta energy: -5.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -89.847069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.847069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.847069 (E_RNA) where: Base-Base interactions energy: -44.685 where: short stacking energy: -28.962 Base-Backbone interact. energy: -0.061 local terms energy: -45.101053 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -9.606 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -74.838523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.838523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.838523 (E_RNA) where: Base-Base interactions energy: -22.388 where: short stacking energy: -22.244 Base-Backbone interact. energy: -0.268 local terms energy: -52.182578 where: bonds (distance) C4'-P energy: -14.065 bonds (distance) P-C4' energy: -11.599 flat angles C4'-P-C4' energy: -16.265 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -70.046225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.046225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.046225 (E_RNA) where: Base-Base interactions energy: -26.740 where: short stacking energy: -26.582 Base-Backbone interact. energy: -0.342 local terms energy: -42.963432 where: bonds (distance) C4'-P energy: -8.781 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -11.478 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -0.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -73.469016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.469016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.469016 (E_RNA) where: Base-Base interactions energy: -28.760 where: short stacking energy: -28.760 Base-Backbone interact. energy: -0.130 local terms energy: -44.578818 where: bonds (distance) C4'-P energy: -9.247 bonds (distance) P-C4' energy: -13.008 flat angles C4'-P-C4' energy: -9.721 flat angles P-C4'-P energy: -9.894 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: 3 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -187.812845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.812845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.812845 (E_RNA) where: Base-Base interactions energy: -125.359 where: short stacking energy: -50.893 Base-Backbone interact. energy: 0.571 local terms energy: -63.024361 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -14.157 flat angles C4'-P-C4' energy: -12.370 flat angles P-C4'-P energy: -4.996 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: 2, replica: 10 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -169.892303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.892303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.892303 (E_RNA) where: Base-Base interactions energy: -102.508 where: short stacking energy: -56.844 Base-Backbone interact. energy: -0.217 local terms energy: -67.167385 where: bonds (distance) C4'-P energy: -10.459 bonds (distance) P-C4' energy: -16.855 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -11.211 tors. eta vs tors. theta energy: -14.494 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: 3, replica: 1 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -170.424044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.424044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.424044 (E_RNA) where: Base-Base interactions energy: -112.589 where: short stacking energy: -55.451 Base-Backbone interact. energy: -0.001 local terms energy: -57.833958 where: bonds (distance) C4'-P energy: -9.543 bonds (distance) P-C4' energy: -16.421 flat angles C4'-P-C4' energy: -11.286 flat angles P-C4'-P energy: -7.806 tors. eta vs tors. theta energy: -12.778 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: 4, replica: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -166.083090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.083090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.083090 (E_RNA) where: Base-Base interactions energy: -96.427 where: short stacking energy: -52.679 Base-Backbone interact. energy: -0.466 local terms energy: -69.189948 where: bonds (distance) C4'-P energy: -10.550 bonds (distance) P-C4' energy: -16.827 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -12.018 tors. eta vs tors. theta energy: -16.696 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: 492 Temperature: 1.100000 Total energy: -166.352080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.352080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.352080 (E_RNA) where: Base-Base interactions energy: -110.929 where: short stacking energy: -56.700 Base-Backbone interact. energy: -0.094 local terms energy: -55.329492 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -9.838 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -14.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -94.818626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.818626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.818626 (E_RNA) where: Base-Base interactions energy: -43.505 where: short stacking energy: -24.846 Base-Backbone interact. energy: -0.195 local terms energy: -51.118538 where: bonds (distance) C4'-P energy: -9.959 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -13.643 flat angles P-C4'-P energy: -7.361 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: 7, replica: 5 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -94.467001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.467001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.467001 (E_RNA) where: Base-Base interactions energy: -39.754 where: short stacking energy: -29.519 Base-Backbone interact. energy: -0.268 local terms energy: -54.444951 where: bonds (distance) C4'-P energy: -10.164 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -14.100 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -79.140898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.140898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.140898 (E_RNA) where: Base-Base interactions energy: -27.849 where: short stacking energy: -27.849 Base-Backbone interact. energy: -0.040 local terms energy: -51.252166 where: bonds (distance) C4'-P energy: -12.474 bonds (distance) P-C4' energy: -12.403 flat angles C4'-P-C4' energy: -11.597 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -9.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -71.347982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.347982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.347982 (E_RNA) where: Base-Base interactions energy: -31.231 where: short stacking energy: -28.357 Base-Backbone interact. energy: -0.142 local terms energy: -39.975038 where: bonds (distance) C4'-P energy: -6.236 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -14.701 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -3.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -76.465449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.465449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.465449 (E_RNA) where: Base-Base interactions energy: -28.652 where: short stacking energy: -31.958 Base-Backbone interact. energy: -0.359 local terms energy: -47.454462 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -11.948 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -4.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -185.775763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.775763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.775763 (E_RNA) where: Base-Base interactions energy: -126.167 where: short stacking energy: -49.297 Base-Backbone interact. energy: -1.146 local terms energy: -58.462981 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -12.680 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: 1 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -180.775645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.775645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.775645 (E_RNA) where: Base-Base interactions energy: -118.862 where: short stacking energy: -56.279 Base-Backbone interact. energy: -0.153 local terms energy: -61.760525 where: bonds (distance) C4'-P energy: -13.012 bonds (distance) P-C4' energy: -12.992 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -8.742 tors. eta vs tors. theta energy: -13.572 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: 493 Temperature: 1.000000 Total energy: -178.109024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.109024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.109024 (E_RNA) where: Base-Base interactions energy: -106.985 where: short stacking energy: -59.052 Base-Backbone interact. energy: -0.007 local terms energy: -71.117527 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -13.482 flat angles P-C4'-P energy: -12.094 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: 4, replica: 4 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -165.620070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.620070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.620070 (E_RNA) where: Base-Base interactions energy: -112.736 where: short stacking energy: -50.121 Base-Backbone interact. energy: -0.238 local terms energy: -52.645467 where: bonds (distance) C4'-P energy: -10.498 bonds (distance) P-C4' energy: -11.189 flat angles C4'-P-C4' energy: -11.476 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -12.758 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: 493 Temperature: 1.100000 Total energy: -165.483038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.483038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.483038 (E_RNA) where: Base-Base interactions energy: -104.165 where: short stacking energy: -49.775 Base-Backbone interact. energy: -0.492 local terms energy: -60.826082 where: bonds (distance) C4'-P energy: -13.513 bonds (distance) P-C4' energy: -13.819 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -14.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -94.465213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.465213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.465213 (E_RNA) where: Base-Base interactions energy: -49.530 where: short stacking energy: -25.790 Base-Backbone interact. energy: 1.800 local terms energy: -46.734722 where: bonds (distance) C4'-P energy: -10.864 bonds (distance) P-C4' energy: -10.324 flat angles C4'-P-C4' energy: -13.672 flat angles P-C4'-P energy: -7.673 tors. eta vs tors. theta energy: -4.201 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: 7 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -78.537083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.537083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.537083 (E_RNA) where: Base-Base interactions energy: -34.040 where: short stacking energy: -23.691 Base-Backbone interact. energy: -0.230 local terms energy: -44.267324 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -6.514 tors. eta vs tors. theta energy: -3.095 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: 8, replica: 8 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -82.495049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.495049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.495049 (E_RNA) where: Base-Base interactions energy: -38.515 where: short stacking energy: -24.196 Base-Backbone interact. energy: -0.158 local terms energy: -43.821795 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -6.162 tors. eta vs tors. theta energy: 0.869 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: 6 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -73.257033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.257033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.257033 (E_RNA) where: Base-Base interactions energy: -29.743 where: short stacking energy: -22.382 Base-Backbone interact. energy: -0.617 local terms energy: -42.896478 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -8.970 flat angles P-C4'-P energy: -8.386 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: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -73.217582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.217582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.217582 (E_RNA) where: Base-Base interactions energy: -26.814 where: short stacking energy: -26.324 Base-Backbone interact. energy: -0.173 local terms energy: -46.231102 where: bonds (distance) C4'-P energy: -9.800 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -8.343 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -7.499 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: 3 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -189.615059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.615059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.615059 (E_RNA) where: Base-Base interactions energy: -121.982 where: short stacking energy: -48.641 Base-Backbone interact. energy: -0.293 local terms energy: -67.339862 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -9.424 tors. eta vs tors. theta energy: -12.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -177.193975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.193975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.193975 (E_RNA) where: Base-Base interactions energy: -114.321 where: short stacking energy: -52.496 Base-Backbone interact. energy: -2.502 local terms energy: -60.371080 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -11.899 tors. eta vs tors. theta energy: -11.943 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: 4 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -167.177036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.177036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.177036 (E_RNA) where: Base-Base interactions energy: -112.010 where: short stacking energy: -52.117 Base-Backbone interact. energy: -0.502 local terms energy: -54.664419 where: bonds (distance) C4'-P energy: -9.568 bonds (distance) P-C4' energy: -9.993 flat angles C4'-P-C4' energy: -10.687 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -13.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -162.380475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.380475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.380475 (E_RNA) where: Base-Base interactions energy: -99.748 where: short stacking energy: -51.450 Base-Backbone interact. energy: -0.021 local terms energy: -62.612311 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -14.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -96.949872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.949872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.949872 (E_RNA) where: Base-Base interactions energy: -47.605 where: short stacking energy: -29.880 Base-Backbone interact. energy: -0.031 local terms energy: -49.313759 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -13.355 flat angles C4'-P-C4' energy: -11.475 flat angles P-C4'-P energy: -7.213 tors. eta vs tors. theta energy: -3.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -160.347234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.347234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.347234 (E_RNA) where: Base-Base interactions energy: -110.559 where: short stacking energy: -52.316 Base-Backbone interact. energy: -0.871 local terms energy: -48.917406 where: bonds (distance) C4'-P energy: -10.052 bonds (distance) P-C4' energy: -10.553 flat angles C4'-P-C4' energy: -9.394 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -14.256 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: 7, replica: 8 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -84.203989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.203989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.203989 (E_RNA) where: Base-Base interactions energy: -29.807 where: short stacking energy: -25.208 Base-Backbone interact. energy: -0.198 local terms energy: -54.198675 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -14.407 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -3.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -72.196159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.196159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.196159 (E_RNA) where: Base-Base interactions energy: -22.308 where: short stacking energy: -22.308 Base-Backbone interact. energy: -0.096 local terms energy: -49.792156 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -15.809 flat angles C4'-P-C4' energy: -11.430 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: 2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -84.829966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.829966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.829966 (E_RNA) where: Base-Base interactions energy: -44.813 where: short stacking energy: -26.255 Base-Backbone interact. energy: -0.205 local terms energy: -39.811658 where: bonds (distance) C4'-P energy: -9.776 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -3.506 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -7.791 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: 10, replica: 6 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -71.052108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.052108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.052108 (E_RNA) where: Base-Base interactions energy: -24.200 where: short stacking energy: -24.200 Base-Backbone interact. energy: -0.114 local terms energy: -46.738712 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -9.995 flat angles C4'-P-C4' energy: -12.055 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -6.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -189.091682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.091682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.091682 (E_RNA) where: Base-Base interactions energy: -127.307 where: short stacking energy: -48.104 Base-Backbone interact. energy: -0.446 local terms energy: -61.338596 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -13.200 flat angles P-C4'-P energy: -9.831 tors. eta vs tors. theta energy: -11.605 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: 1 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -180.624218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.624218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.624218 (E_RNA) where: Base-Base interactions energy: -112.414 where: short stacking energy: -53.073 Base-Backbone interact. energy: -1.302 local terms energy: -66.908790 where: bonds (distance) C4'-P energy: -12.260 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -9.780 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: 3, replica: 4 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -160.849569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.849569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.849569 (E_RNA) where: Base-Base interactions energy: -94.976 where: short stacking energy: -48.812 Base-Backbone interact. energy: -0.002 local terms energy: -65.872264 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -9.249 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: 4, replica: 10 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -169.432293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.432293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.432293 (E_RNA) where: Base-Base interactions energy: -110.960 where: short stacking energy: -51.675 Base-Backbone interact. energy: -0.149 local terms energy: -58.322373 where: bonds (distance) C4'-P energy: -9.473 bonds (distance) P-C4' energy: -15.637 flat angles C4'-P-C4' energy: -12.579 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -13.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -95.039827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.039827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.039827 (E_RNA) where: Base-Base interactions energy: -46.598 where: short stacking energy: -32.361 Base-Backbone interact. energy: -0.163 local terms energy: -48.278240 where: bonds (distance) C4'-P energy: -14.955 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -10.128 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -3.493 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: 2 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -100.007103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.007103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.007103 (E_RNA) where: Base-Base interactions energy: -50.799 where: short stacking energy: -28.525 Base-Backbone interact. energy: -0.678 local terms energy: -48.530896 where: bonds (distance) C4'-P energy: -14.051 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -13.096 flat angles P-C4'-P energy: -2.804 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -81.830025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.830025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.830025 (E_RNA) where: Base-Base interactions energy: -34.112 where: short stacking energy: -34.112 Base-Backbone interact. energy: -0.165 local terms energy: -47.553360 where: bonds (distance) C4'-P energy: -11.237 bonds (distance) P-C4' energy: -13.875 flat angles C4'-P-C4' energy: -11.965 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -5.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -80.238199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.238199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.238199 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -23.169 Base-Backbone interact. energy: -1.105 local terms energy: -54.401287 where: bonds (distance) C4'-P energy: -16.646 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -9.198 tors. eta vs tors. theta energy: -2.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -70.762314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.762314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.762314 (E_RNA) where: Base-Base interactions energy: -38.322 where: short stacking energy: -15.124 Base-Backbone interact. energy: -0.646 local terms energy: -31.794378 where: bonds (distance) C4'-P energy: -13.311 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: 3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -67.613774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.613774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.613774 (E_RNA) where: Base-Base interactions energy: -27.314 where: short stacking energy: -20.442 Base-Backbone interact. energy: 0.948 local terms energy: -41.248248 where: bonds (distance) C4'-P energy: -10.526 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -4.328 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: 1, replica: 3 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -190.374677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.374677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.374677 (E_RNA) where: Base-Base interactions energy: -127.467 where: short stacking energy: -46.845 Base-Backbone interact. energy: 0.578 local terms energy: -63.485359 where: bonds (distance) C4'-P energy: -15.128 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -11.214 flat angles P-C4'-P energy: -9.642 tors. eta vs tors. theta energy: -10.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -171.618555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.618555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.618555 (E_RNA) where: Base-Base interactions energy: -107.126 where: short stacking energy: -52.493 Base-Backbone interact. energy: -0.055 local terms energy: -64.436955 where: bonds (distance) C4'-P energy: -12.475 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -14.670 flat angles P-C4'-P energy: -9.822 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: 3, replica: 4 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -167.178249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.178249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.178249 (E_RNA) where: Base-Base interactions energy: -98.742 where: short stacking energy: -53.129 Base-Backbone interact. energy: -0.016 local terms energy: -68.420052 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -9.037 flat angles C4'-P-C4' energy: -15.809 flat angles P-C4'-P energy: -11.450 tors. eta vs tors. theta energy: -17.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -165.302564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.302564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.302564 (E_RNA) where: Base-Base interactions energy: -105.052 where: short stacking energy: -46.372 Base-Backbone interact. energy: -0.082 local terms energy: -60.169053 where: bonds (distance) C4'-P energy: -10.661 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -13.586 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -14.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -112.216140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.216140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.216140 (E_RNA) where: Base-Base interactions energy: -58.199 where: short stacking energy: -33.703 Base-Backbone interact. energy: -0.110 local terms energy: -53.907924 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -14.112 flat angles C4'-P-C4' energy: -10.649 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: -7.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -90.809047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.809047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.809047 (E_RNA) where: Base-Base interactions energy: -41.040 where: short stacking energy: -21.199 Base-Backbone interact. energy: -0.065 local terms energy: -49.703344 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -86.783392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.783392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.783392 (E_RNA) where: Base-Base interactions energy: -35.888 where: short stacking energy: -35.815 Base-Backbone interact. energy: 0.250 local terms energy: -51.145730 where: bonds (distance) C4'-P energy: -12.743 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -10.465 flat angles P-C4'-P energy: -5.834 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: 8, replica: 8 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -83.204517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.204517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.204517 (E_RNA) where: Base-Base interactions energy: -32.763 where: short stacking energy: -22.523 Base-Backbone interact. energy: -0.334 local terms energy: -50.107109 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -12.569 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -76.954432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.954432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.954432 (E_RNA) where: Base-Base interactions energy: -33.283 where: short stacking energy: -33.283 Base-Backbone interact. energy: -0.627 local terms energy: -43.044181 where: bonds (distance) C4'-P energy: -11.601 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -7.110 tors. eta vs tors. theta energy: -3.857 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: 6 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -63.783444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.783444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.783444 (E_RNA) where: Base-Base interactions energy: -23.855 where: short stacking energy: -15.268 Base-Backbone interact. energy: 0.155 local terms energy: -40.083873 where: bonds (distance) C4'-P energy: -14.900 bonds (distance) P-C4' energy: -10.046 flat angles C4'-P-C4' energy: -10.366 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: 0.974 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: 1, replica: 3 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -186.971328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.971328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.971328 (E_RNA) where: Base-Base interactions energy: -125.570 where: short stacking energy: -52.697 Base-Backbone interact. energy: -0.750 local terms energy: -60.651415 where: bonds (distance) C4'-P energy: -15.058 bonds (distance) P-C4' energy: -15.131 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -4.616 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: 2, replica: 4 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -176.665511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.665511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.665511 (E_RNA) where: Base-Base interactions energy: -116.371 where: short stacking energy: -60.200 Base-Backbone interact. energy: -0.009 local terms energy: -60.285731 where: bonds (distance) C4'-P energy: -14.243 bonds (distance) P-C4' energy: -11.953 flat angles C4'-P-C4' energy: -12.382 flat angles P-C4'-P energy: -6.043 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: 3, replica: 1 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -183.487884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.487884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.487884 (E_RNA) where: Base-Base interactions energy: -112.122 where: short stacking energy: -53.293 Base-Backbone interact. energy: -0.000 local terms energy: -71.364983 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -14.331 flat angles C4'-P-C4' energy: -15.399 flat angles P-C4'-P energy: -11.025 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: 4, replica: 10 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -161.763534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.763534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.763534 (E_RNA) where: Base-Base interactions energy: -96.909 where: short stacking energy: -49.291 Base-Backbone interact. energy: -0.159 local terms energy: -64.695362 where: bonds (distance) C4'-P energy: -14.531 bonds (distance) P-C4' energy: -12.788 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -14.436 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: 2 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -98.496053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.496053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.496053 (E_RNA) where: Base-Base interactions energy: -35.284 where: short stacking energy: -31.791 Base-Backbone interact. energy: -0.002 local terms energy: -63.210002 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -15.444 flat angles P-C4'-P energy: -10.111 tors. eta vs tors. theta energy: -10.244 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: 497 Temperature: 1.150000 Total energy: -104.228771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.228771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.228771 (E_RNA) where: Base-Base interactions energy: -60.014 where: short stacking energy: -34.467 Base-Backbone interact. energy: -0.055 local terms energy: -44.160361 where: bonds (distance) C4'-P energy: -9.024 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -7.234 tors. eta vs tors. theta energy: -9.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -81.792218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.792218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.792218 (E_RNA) where: Base-Base interactions energy: -37.613 where: short stacking energy: -20.567 Base-Backbone interact. energy: 0.870 local terms energy: -45.048586 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -12.762 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -1.660 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: 7 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -82.188131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.188131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.188131 (E_RNA) where: Base-Base interactions energy: -33.399 where: short stacking energy: -21.827 Base-Backbone interact. energy: -0.255 local terms energy: -48.534084 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -13.720 flat angles C4'-P-C4' energy: -11.575 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -69.036681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.036681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.036681 (E_RNA) where: Base-Base interactions energy: -25.661 where: short stacking energy: -25.661 Base-Backbone interact. energy: -0.291 local terms energy: -43.085144 where: bonds (distance) C4'-P energy: -12.189 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -9.947 flat angles P-C4'-P energy: -5.744 tors. eta vs tors. theta energy: -1.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -65.719422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.719422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.719422 (E_RNA) where: Base-Base interactions energy: -26.763 where: short stacking energy: -22.284 Base-Backbone interact. energy: 0.744 local terms energy: -39.700825 where: bonds (distance) C4'-P energy: -12.117 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -9.010 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -0.357 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: 498 Temperature: 0.900000 Total energy: -170.380186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.380186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.380186 (E_RNA) where: Base-Base interactions energy: -102.859 where: short stacking energy: -49.389 Base-Backbone interact. energy: -1.628 local terms energy: -65.892564 where: bonds (distance) C4'-P energy: -15.360 bonds (distance) P-C4' energy: -12.184 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -11.638 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: 2, replica: 3 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -173.420900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.420900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.420900 (E_RNA) where: Base-Base interactions energy: -107.268 where: short stacking energy: -53.670 Base-Backbone interact. energy: 0.597 local terms energy: -66.750076 where: bonds (distance) C4'-P energy: -16.560 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -12.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -168.805879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.805879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.805879 (E_RNA) where: Base-Base interactions energy: -110.146 where: short stacking energy: -53.235 Base-Backbone interact. energy: -0.304 local terms energy: -58.355910 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -13.746 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: 1 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -165.710618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.710618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.710618 (E_RNA) where: Base-Base interactions energy: -92.875 where: short stacking energy: -55.381 Base-Backbone interact. energy: -0.014 local terms energy: -72.821685 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -14.355 flat angles P-C4'-P energy: -10.228 tors. eta vs tors. theta energy: -20.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -91.167871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.167871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.167871 (E_RNA) where: Base-Base interactions energy: -41.962 where: short stacking energy: -36.002 Base-Backbone interact. energy: -0.156 local terms energy: -49.049563 where: bonds (distance) C4'-P energy: -15.154 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -87.152525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.152525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.152525 (E_RNA) where: Base-Base interactions energy: -39.313 where: short stacking energy: -30.416 Base-Backbone interact. energy: -0.021 local terms energy: -47.818603 where: bonds (distance) C4'-P energy: -11.488 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -11.327 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -83.006683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.006683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.006683 (E_RNA) where: Base-Base interactions energy: -31.919 where: short stacking energy: -28.506 Base-Backbone interact. energy: -0.448 local terms energy: -50.639833 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -4.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -77.199879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.199879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.199879 (E_RNA) where: Base-Base interactions energy: -39.394 where: short stacking energy: -18.505 Base-Backbone interact. energy: 1.787 local terms energy: -39.592350 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: 0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -76.401741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.401741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.401741 (E_RNA) where: Base-Base interactions energy: -30.090 where: short stacking energy: -30.090 Base-Backbone interact. energy: -0.301 local terms energy: -46.011008 where: bonds (distance) C4'-P energy: -9.758 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -10.870 flat angles P-C4'-P energy: -7.901 tors. eta vs tors. theta energy: -6.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -81.399346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.399346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.399346 (E_RNA) where: Base-Base interactions energy: -28.044 where: short stacking energy: -28.044 Base-Backbone interact. energy: -0.075 local terms energy: -53.280526 where: bonds (distance) C4'-P energy: -12.073 bonds (distance) P-C4' energy: -13.183 flat angles C4'-P-C4' energy: -13.166 flat angles P-C4'-P energy: -8.962 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: 4 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -179.661698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.661698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.661698 (E_RNA) where: Base-Base interactions energy: -117.094 where: short stacking energy: -52.127 Base-Backbone interact. energy: -0.280 local terms energy: -62.287810 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -15.195 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -14.013 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: 10 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -165.917439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.917439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.917439 (E_RNA) where: Base-Base interactions energy: -100.649 where: short stacking energy: -49.957 Base-Backbone interact. energy: 0.255 local terms energy: -65.523348 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -16.379 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -6.783 tors. eta vs tors. theta energy: -15.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -174.378763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.378763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.378763 (E_RNA) where: Base-Base interactions energy: -112.163 where: short stacking energy: -56.919 Base-Backbone interact. energy: -0.078 local terms energy: -62.138423 where: bonds (distance) C4'-P energy: -9.898 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -7.858 tors. eta vs tors. theta energy: -15.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -177.755591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.755591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.755591 (E_RNA) where: Base-Base interactions energy: -111.593 where: short stacking energy: -50.386 Base-Backbone interact. energy: -0.357 local terms energy: -65.805076 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -11.823 flat angles C4'-P-C4' energy: -16.133 flat angles P-C4'-P energy: -11.829 tors. eta vs tors. theta energy: -12.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -99.184948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.184948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.184948 (E_RNA) where: Base-Base interactions energy: -56.720 where: short stacking energy: -40.635 Base-Backbone interact. energy: -0.544 local terms energy: -41.921383 where: bonds (distance) C4'-P energy: -9.089 bonds (distance) P-C4' energy: -9.129 flat angles C4'-P-C4' energy: -8.737 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -5.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -105.866316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.866316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.866316 (E_RNA) where: Base-Base interactions energy: -46.104 where: short stacking energy: -46.104 Base-Backbone interact. energy: -0.005 local terms energy: -59.757556 where: bonds (distance) C4'-P energy: -10.295 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -12.408 flat angles P-C4'-P energy: -10.219 tors. eta vs tors. theta energy: -13.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -77.873239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.873239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.873239 (E_RNA) where: Base-Base interactions energy: -31.530 where: short stacking energy: -29.550 Base-Backbone interact. energy: -0.342 local terms energy: -46.000708 where: bonds (distance) C4'-P energy: -10.377 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -7.403 tors. eta vs tors. theta energy: -1.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -82.878697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.878697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.878697 (E_RNA) where: Base-Base interactions energy: -32.666 where: short stacking energy: -32.666 Base-Backbone interact. energy: 1.355 local terms energy: -51.568358 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -14.675 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -88.723559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.723559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.723559 (E_RNA) where: Base-Base interactions energy: -47.133 where: short stacking energy: -30.767 Base-Backbone interact. energy: 0.025 local terms energy: -41.616299 where: bonds (distance) C4'-P energy: -10.269 bonds (distance) P-C4' energy: -9.512 flat angles C4'-P-C4' energy: -15.338 flat angles P-C4'-P energy: -5.355 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: 10, replica: 8 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -68.437349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.437349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.437349 (E_RNA) where: Base-Base interactions energy: -16.324 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.358 local terms energy: -51.755479 where: bonds (distance) C4'-P energy: -8.670 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -16.269 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -5.459 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: 1, replica: 10 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -178.318273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.318273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.318273 (E_RNA) where: Base-Base interactions energy: -115.279 where: short stacking energy: -51.270 Base-Backbone interact. energy: -0.048 local terms energy: -62.990666 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -14.084 flat angles C4'-P-C4' energy: -14.927 flat angles P-C4'-P energy: -9.874 tors. eta vs tors. theta energy: -12.820 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: 4 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -176.625178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.625178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.625178 (E_RNA) where: Base-Base interactions energy: -108.117 where: short stacking energy: -57.775 Base-Backbone interact. energy: -0.014 local terms energy: -68.495090 where: bonds (distance) C4'-P energy: -14.254 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -14.869 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -16.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -177.923315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.923315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.923315 (E_RNA) where: Base-Base interactions energy: -114.143 where: short stacking energy: -57.959 Base-Backbone interact. energy: 0.030 local terms energy: -63.810804 where: bonds (distance) C4'-P energy: -10.919 bonds (distance) P-C4' energy: -14.254 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -8.901 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: 4, replica: 1 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -156.349066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.349066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.349066 (E_RNA) where: Base-Base interactions energy: -100.079 where: short stacking energy: -42.981 Base-Backbone interact. energy: -0.241 local terms energy: -56.029880 where: bonds (distance) C4'-P energy: -12.467 bonds (distance) P-C4' energy: -13.181 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -12.300 tors. eta vs tors. theta energy: -7.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -109.135138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.135138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.135138 (E_RNA) where: Base-Base interactions energy: -56.776 where: short stacking energy: -31.942 Base-Backbone interact. energy: -0.373 local terms energy: -51.986188 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -11.335 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -124.277741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.277741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.277741 (E_RNA) where: Base-Base interactions energy: -72.697 where: short stacking energy: -29.823 Base-Backbone interact. energy: -0.030 local terms energy: -51.550768 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -17.122 flat angles C4'-P-C4' energy: -10.037 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -3.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -74.191488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.191488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.191488 (E_RNA) where: Base-Base interactions energy: -18.106 where: short stacking energy: -18.087 Base-Backbone interact. energy: -0.036 local terms energy: -56.049004 where: bonds (distance) C4'-P energy: -13.874 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -10.627 flat angles P-C4'-P energy: -11.023 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: 8, replica: 2 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -78.787170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.787170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.787170 (E_RNA) where: Base-Base interactions energy: -30.240 where: short stacking energy: -29.511 Base-Backbone interact. energy: -0.159 local terms energy: -48.388747 where: bonds (distance) C4'-P energy: -8.728 bonds (distance) P-C4' energy: -12.844 flat angles C4'-P-C4' energy: -12.813 flat angles P-C4'-P energy: -7.451 tors. eta vs tors. theta energy: -6.553 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: 8 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -82.060449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.060449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.060449 (E_RNA) where: Base-Base interactions energy: -34.440 where: short stacking energy: -31.916 Base-Backbone interact. energy: -0.064 local terms energy: -47.555690 where: bonds (distance) C4'-P energy: -10.872 bonds (distance) P-C4' energy: -11.805 flat angles C4'-P-C4' energy: -9.816 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -8.009 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: 7 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -73.697280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.697280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.697280 (E_RNA) where: Base-Base interactions energy: -30.207 where: short stacking energy: -28.357 Base-Backbone interact. energy: -0.502 local terms energy: -42.989218 where: bonds (distance) C4'-P energy: -13.901 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -11.769 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -1.761 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: 10 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -181.922339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.922339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.922339 (E_RNA) where: Base-Base interactions energy: -123.200 where: short stacking energy: -55.215 Base-Backbone interact. energy: -0.110 local terms energy: -58.611920 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -6.854 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: 2, replica: 3 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -174.036787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.036787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.036787 (E_RNA) where: Base-Base interactions energy: -106.905 where: short stacking energy: -54.498 Base-Backbone interact. energy: -0.005 local terms energy: -67.127181 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -14.611 flat angles C4'-P-C4' energy: -13.829 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -14.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -169.150314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.150314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.150314 (E_RNA) where: Base-Base interactions energy: -110.796 where: short stacking energy: -47.072 Base-Backbone interact. energy: -0.190 local terms energy: -58.164616 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -10.646 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -10.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -108.094667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.094667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.094667 (E_RNA) where: Base-Base interactions energy: -60.865 where: short stacking energy: -33.731 Base-Backbone interact. energy: -0.130 local terms energy: -47.099613 where: bonds (distance) C4'-P energy: -12.127 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -10.134 tors. eta vs tors. theta energy: -5.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -141.956356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.956356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.956356 (E_RNA) where: Base-Base interactions energy: -94.403 where: short stacking energy: -37.325 Base-Backbone interact. energy: -0.328 local terms energy: -47.225871 where: bonds (distance) C4'-P energy: -15.289 bonds (distance) P-C4' energy: -5.950 flat angles C4'-P-C4' energy: -11.561 flat angles P-C4'-P energy: -8.185 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: 6, replica: 6 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -89.517679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.517679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.517679 (E_RNA) where: Base-Base interactions energy: -44.798 where: short stacking energy: -21.851 Base-Backbone interact. energy: -0.140 local terms energy: -44.579059 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -12.047 flat angles C4'-P-C4' energy: -10.355 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -100.036871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.036871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.036871 (E_RNA) where: Base-Base interactions energy: -44.075 where: short stacking energy: -23.329 Base-Backbone interact. energy: 0.610 local terms energy: -56.571901 where: bonds (distance) C4'-P energy: -12.003 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -10.438 tors. eta vs tors. theta energy: -6.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -83.763948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.763948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.763948 (E_RNA) where: Base-Base interactions energy: -37.375 where: short stacking energy: -35.693 Base-Backbone interact. energy: -0.092 local terms energy: -46.297374 where: bonds (distance) C4'-P energy: -13.198 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -9.610 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -3.241 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: 9, replica: 2 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -75.567065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.567065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.567065 (E_RNA) where: Base-Base interactions energy: -42.429 where: short stacking energy: -15.970 Base-Backbone interact. energy: 1.903 local terms energy: -35.041609 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -10.941 flat angles C4'-P-C4' energy: -11.049 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: 3.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -103.320156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.320156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.320156 (E_RNA) where: Base-Base interactions energy: -51.444 where: short stacking energy: -28.694 Base-Backbone interact. energy: -0.619 local terms energy: -51.256796 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -12.027 flat angles C4'-P-C4' energy: -11.684 flat angles P-C4'-P energy: -8.133 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) replica 3 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 12664982 moves confirmed later: 14380927 all moves confirmed: 27045909 percent of confirmed moves: 3.380739 current total energy: -145.124009 recalc. total energy: -145.124009 replica 10 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 18694527 moves confirmed later: 22499855 all moves confirmed: 41194382 percent of confirmed moves: 5.149298 current total energy: -145.535797 recalc. total energy: -145.535797 replica 4 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 19845868 moves confirmed later: 24010115 all moves confirmed: 43855983 percent of confirmed moves: 5.481998 current total energy: -120.460770 recalc. total energy: -120.460770 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 21369885 moves confirmed later: 26051827 all moves confirmed: 47421712 percent of confirmed moves: 5.927714 current total energy: -70.590794 recalc. total energy: -70.590794 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 13719806 moves confirmed later: 15816407 all moves confirmed: 29536213 percent of confirmed moves: 3.692027 current total energy: -99.624955 recalc. total energy: -99.624955 replica 6 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 19472188 moves confirmed later: 23516229 all moves confirmed: 42988417 percent of confirmed moves: 5.373552 current total energy: -69.512948 recalc. total energy: -69.512948 replica 8 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 22564742 moves confirmed later: 27653994 all moves confirmed: 50218736 percent of confirmed moves: 6.277342 current total energy: -57.783905 recalc. total energy: -57.783905 replica 9 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 16953157 moves confirmed later: 20149284 all moves confirmed: 37102441 percent of confirmed moves: 4.637805 current total energy: -24.373087 recalc. total energy: -24.373087 replica 7 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 18416839 moves confirmed later: 22095020 all moves confirmed: 40511859 percent of confirmed moves: 5.063982 current total energy: -23.367877 recalc. total energy: -23.367877 replica 2 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 17890528 moves confirmed later: 21397177 all moves confirmed: 39287705 percent of confirmed moves: 4.910963 current total energy: -36.392560 recalc. total energy: -36.392560 out arg RESULTS//1/hi-5e752c3b_01 Time of doing 8000000 iterations: 2360.502 seconds