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/1-9b633f5c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-9b633f5c/inputs/seq.fa: 1 curr_seq: _GGGGGCCCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGCCCGG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/1-9b633f5c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-9b633f5c/inputs/seq.fa: 1 curr_seq: _GGGGGCCCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGCCCGG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/1-9b633f5c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-9b633f5c/inputs/seq.fa: 1 curr_seq: _GGGGGCCCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGCCCGG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/1-9b633f5c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-9b633f5c/inputs/seq.fa: 1 curr_seq: _GGGGGCCCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGCCCGG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/1-9b633f5c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-9b633f5c/inputs/seq.fa: 1 curr_seq: _GGGGGCCCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGCCCGG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/1-9b633f5c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-9b633f5c/inputs/seq.fa: 1 curr_seq: _GGGGGCCCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGCCCGG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/1-9b633f5c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-9b633f5c/inputs/seq.fa: 1 curr_seq: _GGGGGCCCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGCCCGG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/1-9b633f5c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-9b633f5c/inputs/seq.fa: 1 curr_seq: _GGGGGCCCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGCCCGG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/1-9b633f5c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-9b633f5c/inputs/seq.fa: 1 curr_seq: _GGGGGCCCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGCCCGG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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/1-9b633f5c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/1-9b633f5c/inputs/seq.fa: 1 curr_seq: _GGGGGCCCGG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGGCCCGG 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 10 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: 55 n_atoms_counter: 55 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 10.000000 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: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 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: 1 Temperature: 1.200000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 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: 1 Temperature: 1.250000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -34.916876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916876 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -34.916784 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: 0.381 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: 2 Temperature: 0.900000 Total energy: -113.857569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.857569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.857569 (E_RNA) where: Base-Base interactions energy: -82.341 where: short stacking energy: -31.586 Base-Backbone interact. energy: -0.047 local terms energy: -31.469395 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -1.977 tors. eta vs tors. theta energy: -6.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -78.137520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.137520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.137520 (E_RNA) where: Base-Base interactions energy: -41.642 where: short stacking energy: -24.390 Base-Backbone interact. energy: -0.029 local terms energy: -36.465634 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -6.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -97.113529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.113529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.113529 (E_RNA) where: Base-Base interactions energy: -63.968 where: short stacking energy: -33.386 Base-Backbone interact. energy: 0.136 local terms energy: -33.282317 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -89.535700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.535700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.535700 (E_RNA) where: Base-Base interactions energy: -62.272 where: short stacking energy: -31.460 Base-Backbone interact. energy: -0.004 local terms energy: -27.259868 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -2.180 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: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -73.457036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.457036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.457036 (E_RNA) where: Base-Base interactions energy: -38.857 where: short stacking energy: -38.857 Base-Backbone interact. energy: -0.000 local terms energy: -34.600067 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: 0.376 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: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -89.958741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.958741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.958741 (E_RNA) where: Base-Base interactions energy: -60.747 where: short stacking energy: -28.463 Base-Backbone interact. energy: 1.485 local terms energy: -30.697171 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -62.128518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.128518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.128518 (E_RNA) where: Base-Base interactions energy: -31.111 where: short stacking energy: -31.111 Base-Backbone interact. energy: 0.145 local terms energy: -31.163206 where: bonds (distance) C4'-P energy: -4.226 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -4.576 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: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -54.683149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.683149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.683149 (E_RNA) where: Base-Base interactions energy: -25.589 where: short stacking energy: -25.589 Base-Backbone interact. energy: -0.303 local terms energy: -28.791248 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -65.641763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.641763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.641763 (E_RNA) where: Base-Base interactions energy: -29.844 where: short stacking energy: -29.844 Base-Backbone interact. energy: -0.026 local terms energy: -35.771305 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -6.770 tors. eta vs tors. theta energy: -6.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -57.326122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.326122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.326122 (E_RNA) where: Base-Base interactions energy: -21.718 where: short stacking energy: -21.718 Base-Backbone interact. energy: -0.002 local terms energy: -35.606241 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.309 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -4.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -116.159931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.159931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.159931 (E_RNA) where: Base-Base interactions energy: -84.845 where: short stacking energy: -33.891 Base-Backbone interact. energy: -0.325 local terms energy: -30.989365 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -2.120 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: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -105.514687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.514687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.514687 (E_RNA) where: Base-Base interactions energy: -67.100 where: short stacking energy: -34.208 Base-Backbone interact. energy: -0.003 local terms energy: -38.411420 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -7.306 tors. eta vs tors. theta energy: -7.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -78.238762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.238762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.238762 (E_RNA) where: Base-Base interactions energy: -49.144 where: short stacking energy: -16.518 Base-Backbone interact. energy: -0.024 local terms energy: -29.070850 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -4.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -83.417829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.417829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.417829 (E_RNA) where: Base-Base interactions energy: -50.193 where: short stacking energy: -35.213 Base-Backbone interact. energy: -0.001 local terms energy: -33.223364 where: bonds (distance) C4'-P energy: -2.926 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -8.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -71.305593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.305593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.305593 (E_RNA) where: Base-Base interactions energy: -37.266 where: short stacking energy: -34.115 Base-Backbone interact. energy: -0.000 local terms energy: -34.039773 where: bonds (distance) C4'-P energy: -7.273 bonds (distance) P-C4' energy: -5.640 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -9.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -95.694770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.694770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.694770 (E_RNA) where: Base-Base interactions energy: -62.952 where: short stacking energy: -29.222 Base-Backbone interact. energy: -0.004 local terms energy: -32.738889 where: bonds (distance) C4'-P energy: -6.032 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -54.304750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.304750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.304750 (E_RNA) where: Base-Base interactions energy: -28.613 where: short stacking energy: -28.613 Base-Backbone interact. energy: -0.177 local terms energy: -25.514175 where: bonds (distance) C4'-P energy: -5.836 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: -3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -52.346973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.346973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.346973 (E_RNA) where: Base-Base interactions energy: -22.273 where: short stacking energy: -22.273 Base-Backbone interact. energy: -0.012 local terms energy: -30.062467 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -54.655028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.655028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.655028 (E_RNA) where: Base-Base interactions energy: -21.190 where: short stacking energy: -21.190 Base-Backbone interact. energy: -0.001 local terms energy: -33.463632 where: bonds (distance) C4'-P energy: -5.692 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -6.090 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -58.417439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.417439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.417439 (E_RNA) where: Base-Base interactions energy: -28.134 where: short stacking energy: -28.134 Base-Backbone interact. energy: -0.015 local terms energy: -30.268257 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -2.423 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: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -113.013867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.013867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.013867 (E_RNA) where: Base-Base interactions energy: -73.218 where: short stacking energy: -37.415 Base-Backbone interact. energy: -0.980 local terms energy: -38.815960 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -7.346 tors. eta vs tors. theta energy: -7.181 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: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -102.968671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.968671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.968671 (E_RNA) where: Base-Base interactions energy: -66.370 where: short stacking energy: -31.315 Base-Backbone interact. energy: -0.005 local terms energy: -36.593167 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -8.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -93.356414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.356414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.356414 (E_RNA) where: Base-Base interactions energy: -61.738 where: short stacking energy: -22.609 Base-Backbone interact. energy: -0.430 local terms energy: -31.188261 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -5.956 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -85.251209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.251209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.251209 (E_RNA) where: Base-Base interactions energy: -49.859 where: short stacking energy: -27.419 Base-Backbone interact. energy: -0.013 local terms energy: -35.379504 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -9.019 flat angles P-C4'-P energy: -6.703 tors. eta vs tors. theta energy: -5.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -105.408711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.408711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.408711 (E_RNA) where: Base-Base interactions energy: -71.839 where: short stacking energy: -36.174 Base-Backbone interact. energy: -0.147 local terms energy: -33.422433 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -6.461 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: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -73.201793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.201793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.201793 (E_RNA) where: Base-Base interactions energy: -37.862 where: short stacking energy: -37.862 Base-Backbone interact. energy: -0.003 local terms energy: -35.336549 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.287 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -7.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -57.462464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.462464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.462464 (E_RNA) where: Base-Base interactions energy: -27.726 where: short stacking energy: -27.726 Base-Backbone interact. energy: -0.047 local terms energy: -29.689993 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -1.227 tors. eta vs tors. theta energy: -5.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -54.828779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.828779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.828779 (E_RNA) where: Base-Base interactions energy: -22.503 where: short stacking energy: -22.503 Base-Backbone interact. energy: -0.098 local terms energy: -32.227795 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -3.984 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -48.188509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.188509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.188509 (E_RNA) where: Base-Base interactions energy: -19.247 where: short stacking energy: -19.247 Base-Backbone interact. energy: -0.016 local terms energy: -28.925327 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -2.374 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: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -53.096657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.096657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.096657 (E_RNA) where: Base-Base interactions energy: -22.940 where: short stacking energy: -22.940 Base-Backbone interact. energy: -0.030 local terms energy: -30.125872 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -2.652 tors. eta vs tors. theta energy: -5.807 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: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -109.221758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.221758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.221758 (E_RNA) where: Base-Base interactions energy: -73.864 where: short stacking energy: -38.038 Base-Backbone interact. energy: -0.454 local terms energy: -34.903687 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -8.949 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: 5 Temperature: 0.950000 Total energy: -91.734604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.734604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.734604 (E_RNA) where: Base-Base interactions energy: -56.933 where: short stacking energy: -35.565 Base-Backbone interact. energy: -0.013 local terms energy: -34.789018 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -8.349 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -6.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -103.815893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.815893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.815893 (E_RNA) where: Base-Base interactions energy: -67.650 where: short stacking energy: -33.382 Base-Backbone interact. energy: -0.019 local terms energy: -36.146832 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.324 flat angles P-C4'-P energy: -2.595 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: 4, replica: 6 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -102.788183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.788183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.788183 (E_RNA) where: Base-Base interactions energy: -71.074 where: short stacking energy: -29.788 Base-Backbone interact. energy: -0.054 local terms energy: -31.660557 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -5.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -75.487280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.487280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.487280 (E_RNA) where: Base-Base interactions energy: -46.595 where: short stacking energy: -22.683 Base-Backbone interact. energy: -0.937 local terms energy: -27.955119 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -5.699 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: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -68.877270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.877270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.877270 (E_RNA) where: Base-Base interactions energy: -38.122 where: short stacking energy: -31.850 Base-Backbone interact. energy: -0.008 local terms energy: -30.747073 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -65.215822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.215822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.215822 (E_RNA) where: Base-Base interactions energy: -41.365 where: short stacking energy: -17.083 Base-Backbone interact. energy: -0.004 local terms energy: -23.846642 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -3.486 flat angles P-C4'-P energy: -3.718 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: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -60.660301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.660301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.660301 (E_RNA) where: Base-Base interactions energy: -29.031 where: short stacking energy: -29.031 Base-Backbone interact. energy: -0.070 local terms energy: -31.559495 where: bonds (distance) C4'-P energy: -5.444 bonds (distance) P-C4' energy: -6.030 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -9.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -52.735154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.735154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.735154 (E_RNA) where: Base-Base interactions energy: -24.916 where: short stacking energy: -24.916 Base-Backbone interact. energy: -0.017 local terms energy: -27.802080 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -62.508548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.508548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.508548 (E_RNA) where: Base-Base interactions energy: -44.204 where: short stacking energy: -23.557 Base-Backbone interact. energy: -0.165 local terms energy: -18.139485 where: bonds (distance) C4'-P energy: -1.701 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -0.224 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -90.520493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.520493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.520493 (E_RNA) where: Base-Base interactions energy: -50.316 where: short stacking energy: -31.750 Base-Backbone interact. energy: 0.126 local terms energy: -40.331062 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -8.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -107.916761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.916761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.916761 (E_RNA) where: Base-Base interactions energy: -68.437 where: short stacking energy: -33.433 Base-Backbone interact. energy: -1.449 local terms energy: -38.030256 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -6.479 tors. eta vs tors. theta energy: -8.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -105.784737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.784737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.784737 (E_RNA) where: Base-Base interactions energy: -68.556 where: short stacking energy: -29.453 Base-Backbone interact. energy: -0.623 local terms energy: -36.606177 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -6.323 tors. eta vs tors. theta energy: -5.920 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: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -115.391376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.391376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.391376 (E_RNA) where: Base-Base interactions energy: -88.198 where: short stacking energy: -37.542 Base-Backbone interact. energy: -0.005 local terms energy: -27.187838 where: bonds (distance) C4'-P energy: -6.172 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -0.547 tors. eta vs tors. theta energy: -6.247 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: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -76.616172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.616172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.616172 (E_RNA) where: Base-Base interactions energy: -47.976 where: short stacking energy: -26.511 Base-Backbone interact. energy: -0.333 local terms energy: -28.307590 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -3.441 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: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -69.637678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.637678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.637678 (E_RNA) where: Base-Base interactions energy: -31.781 where: short stacking energy: -31.781 Base-Backbone interact. energy: -0.000 local terms energy: -37.856794 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -6.375 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: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -50.696776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.696776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.696776 (E_RNA) where: Base-Base interactions energy: -25.694 where: short stacking energy: -25.694 Base-Backbone interact. energy: -0.062 local terms energy: -24.941319 where: bonds (distance) C4'-P energy: -5.900 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -1.322 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: 5 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -73.151590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.151590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.151590 (E_RNA) where: Base-Base interactions energy: -44.338 where: short stacking energy: -19.953 Base-Backbone interact. energy: 0.103 local terms energy: -28.917141 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -5.962 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -56.632905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.632905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.632905 (E_RNA) where: Base-Base interactions energy: -32.274 where: short stacking energy: -15.705 Base-Backbone interact. energy: -0.098 local terms energy: -24.261037 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -2.840 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -2.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -54.064605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.064605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.064605 (E_RNA) where: Base-Base interactions energy: -23.503 where: short stacking energy: -20.612 Base-Backbone interact. energy: -0.223 local terms energy: -30.338463 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.472 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -5.542 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: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -91.982948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.982948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.982948 (E_RNA) where: Base-Base interactions energy: -58.365 where: short stacking energy: -28.463 Base-Backbone interact. energy: -0.004 local terms energy: -33.613581 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -3.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -108.766029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.766029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.766029 (E_RNA) where: Base-Base interactions energy: -69.646 where: short stacking energy: -36.229 Base-Backbone interact. energy: -1.709 local terms energy: -37.411482 where: bonds (distance) C4'-P energy: -5.824 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.891 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -8.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -106.994785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.994785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.994785 (E_RNA) where: Base-Base interactions energy: -69.066 where: short stacking energy: -33.212 Base-Backbone interact. energy: -0.614 local terms energy: -37.314792 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -5.640 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: 4, replica: 1 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -104.486802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.486802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.486802 (E_RNA) where: Base-Base interactions energy: -79.303 where: short stacking energy: -30.207 Base-Backbone interact. energy: -0.178 local terms energy: -25.006175 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -2.817 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: 5, replica: 9 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -58.640444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.640444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.640444 (E_RNA) where: Base-Base interactions energy: -24.395 where: short stacking energy: -24.395 Base-Backbone interact. energy: -0.024 local terms energy: -34.221853 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -5.661 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: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -68.299145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.299145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.299145 (E_RNA) where: Base-Base interactions energy: -45.035 where: short stacking energy: -25.171 Base-Backbone interact. energy: -0.001 local terms energy: -23.263974 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -0.751 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: 4 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -67.298440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.298440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.298440 (E_RNA) where: Base-Base interactions energy: -35.561 where: short stacking energy: -32.142 Base-Backbone interact. energy: -0.021 local terms energy: -31.715660 where: bonds (distance) C4'-P energy: -4.574 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -6.877 tors. eta vs tors. theta energy: -7.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -60.460138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.460138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.460138 (E_RNA) where: Base-Base interactions energy: -28.149 where: short stacking energy: -23.272 Base-Backbone interact. energy: -0.000 local terms energy: -32.310590 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.346 flat angles P-C4'-P energy: -1.919 tors. eta vs tors. theta energy: -6.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -76.462199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.462199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.462199 (E_RNA) where: Base-Base interactions energy: -43.838 where: short stacking energy: -20.652 Base-Backbone interact. energy: -0.089 local terms energy: -32.535059 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -2.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -54.429185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.429185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.429185 (E_RNA) where: Base-Base interactions energy: -25.670 where: short stacking energy: -20.850 Base-Backbone interact. energy: -0.037 local terms energy: -28.722536 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -0.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -107.145596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.145596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.145596 (E_RNA) where: Base-Base interactions energy: -68.498 where: short stacking energy: -33.948 Base-Backbone interact. energy: -0.517 local terms energy: -38.131271 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.840 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -7.852 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: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -97.097651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.097651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.097651 (E_RNA) where: Base-Base interactions energy: -60.443 where: short stacking energy: -30.651 Base-Backbone interact. energy: -0.003 local terms energy: -36.651368 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.522 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -7.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -105.770923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.770923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.770923 (E_RNA) where: Base-Base interactions energy: -71.939 where: short stacking energy: -35.409 Base-Backbone interact. energy: -0.393 local terms energy: -33.439008 where: bonds (distance) C4'-P energy: -4.919 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -6.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -102.206436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.206436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.206436 (E_RNA) where: Base-Base interactions energy: -68.006 where: short stacking energy: -34.175 Base-Backbone interact. energy: -0.114 local terms energy: -34.086684 where: bonds (distance) C4'-P energy: -7.299 bonds (distance) P-C4' energy: -6.823 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -7.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -69.148351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.148351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.148351 (E_RNA) where: Base-Base interactions energy: -31.565 where: short stacking energy: -29.165 Base-Backbone interact. energy: -1.270 local terms energy: -36.313381 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -6.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -61.691854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.691854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.691854 (E_RNA) where: Base-Base interactions energy: -30.205 where: short stacking energy: -30.205 Base-Backbone interact. energy: -0.001 local terms energy: -31.485233 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -6.046 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: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -60.952885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.952885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.952885 (E_RNA) where: Base-Base interactions energy: -33.939 where: short stacking energy: -33.939 Base-Backbone interact. energy: -0.004 local terms energy: -27.009342 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -5.613 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -3.750 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: 8, replica: 4 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -76.613184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.613184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.613184 (E_RNA) where: Base-Base interactions energy: -47.465 where: short stacking energy: -26.950 Base-Backbone interact. energy: -0.078 local terms energy: -29.069859 where: bonds (distance) C4'-P energy: -7.758 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.090 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -3.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -66.699000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.699000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.699000 (E_RNA) where: Base-Base interactions energy: -44.440 where: short stacking energy: -21.269 Base-Backbone interact. energy: -0.492 local terms energy: -21.766892 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.588 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -3.476 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: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -51.974742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.974742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.974742 (E_RNA) where: Base-Base interactions energy: -23.997 where: short stacking energy: -23.997 Base-Backbone interact. energy: -0.093 local terms energy: -27.884836 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -1.461 tors. eta vs tors. theta energy: -3.726 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: 6 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -111.288279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.288279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.288279 (E_RNA) where: Base-Base interactions energy: -72.591 where: short stacking energy: -35.472 Base-Backbone interact. energy: -0.233 local terms energy: -38.465033 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -6.469 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: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -108.919223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.919223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.919223 (E_RNA) where: Base-Base interactions energy: -74.219 where: short stacking energy: -37.089 Base-Backbone interact. energy: -0.354 local terms energy: -34.346762 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -5.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -96.274863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.274863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.274863 (E_RNA) where: Base-Base interactions energy: -63.562 where: short stacking energy: -29.640 Base-Backbone interact. energy: -0.001 local terms energy: -32.711962 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -4.252 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: 4, replica: 1 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -99.128419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.128419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.128419 (E_RNA) where: Base-Base interactions energy: -65.986 where: short stacking energy: -30.033 Base-Backbone interact. energy: -0.003 local terms energy: -33.138960 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -6.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -71.209015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.209015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.209015 (E_RNA) where: Base-Base interactions energy: -38.932 where: short stacking energy: -23.639 Base-Backbone interact. energy: -0.044 local terms energy: -32.232828 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -68.986406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.986406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.986406 (E_RNA) where: Base-Base interactions energy: -34.170 where: short stacking energy: -30.252 Base-Backbone interact. energy: -0.000 local terms energy: -34.815696 where: bonds (distance) C4'-P energy: -5.157 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -7.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -72.805393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.805393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.805393 (E_RNA) where: Base-Base interactions energy: -38.788 where: short stacking energy: -38.788 Base-Backbone interact. energy: -0.000 local terms energy: -34.017623 where: bonds (distance) C4'-P energy: -2.997 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: -8.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -62.893587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.893587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.893587 (E_RNA) where: Base-Base interactions energy: -31.860 where: short stacking energy: -31.860 Base-Backbone interact. energy: -0.000 local terms energy: -31.032976 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -4.362 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: 9, replica: 4 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -51.474264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.474264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.474264 (E_RNA) where: Base-Base interactions energy: -25.824 where: short stacking energy: -23.965 Base-Backbone interact. energy: 0.169 local terms energy: -25.819542 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -50.565074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.565074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.565074 (E_RNA) where: Base-Base interactions energy: -23.816 where: short stacking energy: -18.003 Base-Backbone interact. energy: -0.003 local terms energy: -26.745857 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -108.848796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.848796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.848796 (E_RNA) where: Base-Base interactions energy: -72.446 where: short stacking energy: -36.372 Base-Backbone interact. energy: -0.333 local terms energy: -36.069189 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -6.564 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: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -104.128294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.128294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.128294 (E_RNA) where: Base-Base interactions energy: -72.796 where: short stacking energy: -36.589 Base-Backbone interact. energy: -0.006 local terms energy: -31.326425 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.545 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -5.190 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: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -106.531262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.531262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.531262 (E_RNA) where: Base-Base interactions energy: -72.435 where: short stacking energy: -36.761 Base-Backbone interact. energy: -0.317 local terms energy: -33.778522 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -9.101 flat angles C4'-P-C4' energy: -9.037 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -4.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -86.239371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.239371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.239371 (E_RNA) where: Base-Base interactions energy: -54.696 where: short stacking energy: -24.706 Base-Backbone interact. energy: -0.215 local terms energy: -31.327954 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -1.321 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: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -80.863272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.863272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.863272 (E_RNA) where: Base-Base interactions energy: -46.428 where: short stacking energy: -33.663 Base-Backbone interact. energy: -0.000 local terms energy: -34.435453 where: bonds (distance) C4'-P energy: -7.733 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -4.884 tors. eta vs tors. theta energy: -8.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -69.264134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.264134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.264134 (E_RNA) where: Base-Base interactions energy: -45.440 where: short stacking energy: -22.965 Base-Backbone interact. energy: 0.140 local terms energy: -23.964183 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -1.996 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -61.944057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.944057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.944057 (E_RNA) where: Base-Base interactions energy: -30.088 where: short stacking energy: -25.593 Base-Backbone interact. energy: -0.167 local terms energy: -31.689172 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -6.121 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: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -54.474844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.474844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.474844 (E_RNA) where: Base-Base interactions energy: -26.499 where: short stacking energy: -26.499 Base-Backbone interact. energy: -0.080 local terms energy: -27.895534 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -5.791 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -51.601086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.601086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.601086 (E_RNA) where: Base-Base interactions energy: -28.062 where: short stacking energy: -19.677 Base-Backbone interact. energy: -0.003 local terms energy: -23.536375 where: bonds (distance) C4'-P energy: -3.940 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -2.192 tors. eta vs tors. theta energy: -2.679 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: 4 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -55.851715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.851715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.851715 (E_RNA) where: Base-Base interactions energy: -29.005 where: short stacking energy: -29.005 Base-Backbone interact. energy: -0.001 local terms energy: -26.845580 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -4.872 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -6.223 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: 6 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -110.302879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.302879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.302879 (E_RNA) where: Base-Base interactions energy: -71.935 where: short stacking energy: -36.135 Base-Backbone interact. energy: -0.434 local terms energy: -37.933121 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -7.882 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: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -105.822569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.822569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.822569 (E_RNA) where: Base-Base interactions energy: -70.621 where: short stacking energy: -35.109 Base-Backbone interact. energy: -0.005 local terms energy: -35.197122 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -5.029 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: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -106.768263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.768263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.768263 (E_RNA) where: Base-Base interactions energy: -73.361 where: short stacking energy: -35.675 Base-Backbone interact. energy: -0.070 local terms energy: -33.338088 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -6.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -102.617390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.617390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.617390 (E_RNA) where: Base-Base interactions energy: -65.623 where: short stacking energy: -31.389 Base-Backbone interact. energy: -1.351 local terms energy: -35.643342 where: bonds (distance) C4'-P energy: -5.869 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -6.793 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: 8 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -86.031360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.031360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.031360 (E_RNA) where: Base-Base interactions energy: -57.586 where: short stacking energy: -25.403 Base-Backbone interact. energy: -0.162 local terms energy: -28.282481 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -7.583 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -2.396 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: 6, replica: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -65.492789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.492789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.492789 (E_RNA) where: Base-Base interactions energy: -37.923 where: short stacking energy: -19.139 Base-Backbone interact. energy: -0.001 local terms energy: -27.568014 where: bonds (distance) C4'-P energy: -3.336 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -9.026 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -2.001 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: 10 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -62.861147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.861147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.861147 (E_RNA) where: Base-Base interactions energy: -34.278 where: short stacking energy: -18.780 Base-Backbone interact. energy: -0.002 local terms energy: -28.581038 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -9.326 flat angles P-C4'-P energy: -5.002 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: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -59.557627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.557627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.557627 (E_RNA) where: Base-Base interactions energy: -30.326 where: short stacking energy: -30.326 Base-Backbone interact. energy: -0.000 local terms energy: -29.231545 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -4.153 flat angles C4'-P-C4' energy: -7.784 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -6.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -55.713730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.713730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.713730 (E_RNA) where: Base-Base interactions energy: -24.959 where: short stacking energy: -14.822 Base-Backbone interact. energy: -0.041 local terms energy: -30.713542 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -2.748 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -55.817319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.817319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.817319 (E_RNA) where: Base-Base interactions energy: -21.419 where: short stacking energy: -21.419 Base-Backbone interact. energy: -0.044 local terms energy: -34.354098 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -6.226 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: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -104.691068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.691068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.691068 (E_RNA) where: Base-Base interactions energy: -74.447 where: short stacking energy: -37.911 Base-Backbone interact. energy: -0.099 local terms energy: -30.145501 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -4.538 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: 2, replica: 6 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -108.698704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.698704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.698704 (E_RNA) where: Base-Base interactions energy: -72.189 where: short stacking energy: -34.851 Base-Backbone interact. energy: -1.591 local terms energy: -34.918854 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -8.381 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -5.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -108.175665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.175665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.175665 (E_RNA) where: Base-Base interactions energy: -71.160 where: short stacking energy: -36.605 Base-Backbone interact. energy: 0.629 local terms energy: -37.643951 where: bonds (distance) C4'-P energy: -7.840 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.696 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -6.821 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: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -103.234994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.234994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.234994 (E_RNA) where: Base-Base interactions energy: -72.252 where: short stacking energy: -37.227 Base-Backbone interact. energy: -0.071 local terms energy: -30.912025 where: bonds (distance) C4'-P energy: -3.234 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -5.347 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: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -79.880055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.880055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.880055 (E_RNA) where: Base-Base interactions energy: -47.297 where: short stacking energy: -31.153 Base-Backbone interact. energy: 0.347 local terms energy: -32.929420 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -4.529 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: 12 Temperature: 1.150000 Total energy: -96.147496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.147496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.147496 (E_RNA) where: Base-Base interactions energy: -63.142 where: short stacking energy: -26.305 Base-Backbone interact. energy: -2.125 local terms energy: -30.880532 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -5.551 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: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -57.054310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.054310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.054310 (E_RNA) where: Base-Base interactions energy: -24.440 where: short stacking energy: -24.440 Base-Backbone interact. energy: -0.009 local terms energy: -32.605407 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.521 flat angles P-C4'-P energy: -4.873 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: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -55.775118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.775118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.775118 (E_RNA) where: Base-Base interactions energy: -23.331 where: short stacking energy: -23.331 Base-Backbone interact. energy: -0.100 local terms energy: -32.344512 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -6.314 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: 9, replica: 4 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -54.682114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.682114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.682114 (E_RNA) where: Base-Base interactions energy: -26.708 where: short stacking energy: -24.502 Base-Backbone interact. energy: -0.001 local terms energy: -27.972942 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -5.055 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: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -47.715696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.715696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.715696 (E_RNA) where: Base-Base interactions energy: -20.348 where: short stacking energy: -20.348 Base-Backbone interact. energy: -0.003 local terms energy: -27.364662 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -3.099 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -110.202725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.202725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.202725 (E_RNA) where: Base-Base interactions energy: -72.410 where: short stacking energy: -35.998 Base-Backbone interact. energy: -0.018 local terms energy: -37.774602 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.821 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -104.994502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.994502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.994502 (E_RNA) where: Base-Base interactions energy: -72.751 where: short stacking energy: -24.410 Base-Backbone interact. energy: -0.001 local terms energy: -32.241889 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -9.154 flat angles P-C4'-P energy: -2.283 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: 3, replica: 6 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -106.015572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.015572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.015572 (E_RNA) where: Base-Base interactions energy: -69.148 where: short stacking energy: -36.229 Base-Backbone interact. energy: -1.659 local terms energy: -35.209033 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -5.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -101.030549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.030549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.030549 (E_RNA) where: Base-Base interactions energy: -65.482 where: short stacking energy: -29.604 Base-Backbone interact. energy: -0.017 local terms energy: -35.531654 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -4.986 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: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -67.486525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.486525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.486525 (E_RNA) where: Base-Base interactions energy: -33.143 where: short stacking energy: -33.143 Base-Backbone interact. energy: -0.005 local terms energy: -34.338405 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -4.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -102.581576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.581576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.581576 (E_RNA) where: Base-Base interactions energy: -67.276 where: short stacking energy: -32.317 Base-Backbone interact. energy: -1.649 local terms energy: -33.656845 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -5.813 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: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -62.134575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.134575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.134575 (E_RNA) where: Base-Base interactions energy: -32.275 where: short stacking energy: -30.674 Base-Backbone interact. energy: -0.001 local terms energy: -29.858843 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -6.332 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: 8, replica: 4 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -57.307622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.307622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.307622 (E_RNA) where: Base-Base interactions energy: -25.851 where: short stacking energy: -23.320 Base-Backbone interact. energy: -0.002 local terms energy: -31.454129 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -3.505 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: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -55.721114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.721114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.721114 (E_RNA) where: Base-Base interactions energy: -25.881 where: short stacking energy: -25.881 Base-Backbone interact. energy: -0.003 local terms energy: -29.837828 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -2.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -52.295482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.295482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.295482 (E_RNA) where: Base-Base interactions energy: -22.490 where: short stacking energy: -22.490 Base-Backbone interact. energy: -0.000 local terms energy: -29.805045 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -4.328 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -6.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -105.692154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.692154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.692154 (E_RNA) where: Base-Base interactions energy: -73.049 where: short stacking energy: -35.792 Base-Backbone interact. energy: -0.040 local terms energy: -32.603292 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -5.874 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: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -109.208418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.208418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.208418 (E_RNA) where: Base-Base interactions energy: -70.777 where: short stacking energy: -35.494 Base-Backbone interact. energy: -0.007 local terms energy: -38.424358 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -7.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -99.051747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.051747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.051747 (E_RNA) where: Base-Base interactions energy: -67.926 where: short stacking energy: -32.626 Base-Backbone interact. energy: -0.106 local terms energy: -31.019467 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -8.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -104.040581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.040581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.040581 (E_RNA) where: Base-Base interactions energy: -71.574 where: short stacking energy: -34.773 Base-Backbone interact. energy: -1.415 local terms energy: -31.052047 where: bonds (distance) C4'-P energy: -2.707 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -8.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -105.353103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.353103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.353103 (E_RNA) where: Base-Base interactions energy: -70.254 where: short stacking energy: -34.160 Base-Backbone interact. energy: -1.721 local terms energy: -33.378519 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -6.641 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: 14 Temperature: 1.150000 Total energy: -55.888373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.888373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.888373 (E_RNA) where: Base-Base interactions energy: -22.701 where: short stacking energy: -22.701 Base-Backbone interact. energy: -0.016 local terms energy: -33.170743 where: bonds (distance) C4'-P energy: -4.997 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -6.358 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: 4 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -61.397279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.397279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.397279 (E_RNA) where: Base-Base interactions energy: -34.637 where: short stacking energy: -34.637 Base-Backbone interact. energy: -0.044 local terms energy: -26.716817 where: bonds (distance) C4'-P energy: -4.060 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -1.930 tors. eta vs tors. theta energy: -6.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -55.279600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.279600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.279600 (E_RNA) where: Base-Base interactions energy: -25.562 where: short stacking energy: -24.640 Base-Backbone interact. energy: -0.129 local terms energy: -29.588309 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -1.350 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: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -57.239993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.239993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.239993 (E_RNA) where: Base-Base interactions energy: -27.258 where: short stacking energy: -23.612 Base-Backbone interact. energy: -0.085 local terms energy: -29.896882 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -3.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -61.245781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.245781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.245781 (E_RNA) where: Base-Base interactions energy: -32.777 where: short stacking energy: -32.777 Base-Backbone interact. energy: -0.039 local terms energy: -28.429624 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -6.432 tors. eta vs tors. theta energy: -5.323 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: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -102.738259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.738259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.738259 (E_RNA) where: Base-Base interactions energy: -66.527 where: short stacking energy: -30.281 Base-Backbone interact. energy: -0.024 local terms energy: -36.187579 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -4.808 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: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -99.600867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.600867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.600867 (E_RNA) where: Base-Base interactions energy: -64.929 where: short stacking energy: -34.936 Base-Backbone interact. energy: -0.007 local terms energy: -34.664057 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -5.291 tors. eta vs tors. theta energy: -6.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -107.949942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.949942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.949942 (E_RNA) where: Base-Base interactions energy: -78.679 where: short stacking energy: -33.426 Base-Backbone interact. energy: -0.164 local terms energy: -29.107273 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -7.743 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -1.404 tors. eta vs tors. theta energy: -8.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -101.244940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.244940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.244940 (E_RNA) where: Base-Base interactions energy: -71.894 where: short stacking energy: -35.558 Base-Backbone interact. energy: -0.837 local terms energy: -28.514192 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -5.277 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: 8 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -105.702848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.702848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.702848 (E_RNA) where: Base-Base interactions energy: -70.093 where: short stacking energy: -35.128 Base-Backbone interact. energy: -1.869 local terms energy: -33.740653 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -6.428 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -70.815728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.815728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.815728 (E_RNA) where: Base-Base interactions energy: -43.012 where: short stacking energy: -18.673 Base-Backbone interact. energy: -0.044 local terms energy: -27.759386 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -0.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -60.037007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.037007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.037007 (E_RNA) where: Base-Base interactions energy: -28.805 where: short stacking energy: -28.805 Base-Backbone interact. energy: -0.058 local terms energy: -31.173824 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -69.967131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.967131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.967131 (E_RNA) where: Base-Base interactions energy: -31.020 where: short stacking energy: -31.020 Base-Backbone interact. energy: -0.000 local terms energy: -38.947180 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: -9.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -49.573662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.573662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.573662 (E_RNA) where: Base-Base interactions energy: -23.722 where: short stacking energy: -25.122 Base-Backbone interact. energy: -0.001 local terms energy: -25.849941 where: bonds (distance) C4'-P energy: -4.910 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -1.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -46.870311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.870311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.870311 (E_RNA) where: Base-Base interactions energy: -17.267 where: short stacking energy: -17.267 Base-Backbone interact. energy: -0.002 local terms energy: -29.601331 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -6.269 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -6.996 tors. eta vs tors. theta energy: -2.239 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: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -107.407785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.407785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.407785 (E_RNA) where: Base-Base interactions energy: -68.676 where: short stacking energy: -36.691 Base-Backbone interact. energy: -0.001 local terms energy: -38.731157 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.660 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -7.352 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: 2, replica: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -104.942557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.942557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.942557 (E_RNA) where: Base-Base interactions energy: -67.971 where: short stacking energy: -36.901 Base-Backbone interact. energy: -0.009 local terms energy: -36.963219 where: bonds (distance) C4'-P energy: -6.726 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -9.074 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -8.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -102.448240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.448240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.448240 (E_RNA) where: Base-Base interactions energy: -65.552 where: short stacking energy: -33.632 Base-Backbone interact. energy: -0.010 local terms energy: -36.886030 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -7.153 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: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -106.034246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.034246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.034246 (E_RNA) where: Base-Base interactions energy: -67.167 where: short stacking energy: -32.698 Base-Backbone interact. energy: -0.664 local terms energy: -38.203710 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -8.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -101.794094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.794094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.794094 (E_RNA) where: Base-Base interactions energy: -76.801 where: short stacking energy: -32.028 Base-Backbone interact. energy: -0.023 local terms energy: -24.969708 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -3.982 flat angles P-C4'-P energy: -1.649 tors. eta vs tors. theta energy: -7.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -77.776870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.776870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.776870 (E_RNA) where: Base-Base interactions energy: -53.035 where: short stacking energy: -24.084 Base-Backbone interact. energy: -0.067 local terms energy: -24.675490 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -1.553 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -58.359112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.359112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.359112 (E_RNA) where: Base-Base interactions energy: -21.921 where: short stacking energy: -21.921 Base-Backbone interact. energy: -0.015 local terms energy: -36.423932 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -6.078 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: 8, replica: 5 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -52.241761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.241761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.241761 (E_RNA) where: Base-Base interactions energy: -28.289 where: short stacking energy: -22.201 Base-Backbone interact. energy: -0.000 local terms energy: -23.952628 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -3.551 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -50.695321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.695321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.695321 (E_RNA) where: Base-Base interactions energy: -21.695 where: short stacking energy: -21.695 Base-Backbone interact. energy: -0.111 local terms energy: -28.889308 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.014 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -54.755603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.755603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.755603 (E_RNA) where: Base-Base interactions energy: -22.854 where: short stacking energy: -22.854 Base-Backbone interact. energy: -0.000 local terms energy: -31.901691 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -5.082 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: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -104.696162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.696162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.696162 (E_RNA) where: Base-Base interactions energy: -68.019 where: short stacking energy: -36.854 Base-Backbone interact. energy: -0.001 local terms energy: -36.676285 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -8.235 flat angles P-C4'-P energy: -7.388 tors. eta vs tors. theta energy: -7.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -109.869474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.869474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.869474 (E_RNA) where: Base-Base interactions energy: -70.347 where: short stacking energy: -33.560 Base-Backbone interact. energy: -0.122 local terms energy: -39.400461 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.730 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -8.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -105.870562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.870562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.870562 (E_RNA) where: Base-Base interactions energy: -67.448 where: short stacking energy: -34.643 Base-Backbone interact. energy: -2.173 local terms energy: -36.249350 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.735 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -7.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -101.532164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.532164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.532164 (E_RNA) where: Base-Base interactions energy: -70.653 where: short stacking energy: -35.906 Base-Backbone interact. energy: -0.010 local terms energy: -30.868647 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -2.266 tors. eta vs tors. theta energy: -6.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -101.319189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.319189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.319189 (E_RNA) where: Base-Base interactions energy: -66.206 where: short stacking energy: -29.195 Base-Backbone interact. energy: -0.085 local terms energy: -35.028532 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -7.772 tors. eta vs tors. theta energy: -6.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -66.022918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.022918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.022918 (E_RNA) where: Base-Base interactions energy: -40.437 where: short stacking energy: -26.262 Base-Backbone interact. energy: -0.006 local terms energy: -25.579488 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -4.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -82.873111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.873111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.873111 (E_RNA) where: Base-Base interactions energy: -57.236 where: short stacking energy: -28.026 Base-Backbone interact. energy: -1.357 local terms energy: -24.279856 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: 0.157 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -46.475465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.475465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.475465 (E_RNA) where: Base-Base interactions energy: -21.375 where: short stacking energy: -21.375 Base-Backbone interact. energy: -0.115 local terms energy: -24.985804 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -52.663987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.663987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.663987 (E_RNA) where: Base-Base interactions energy: -28.358 where: short stacking energy: -14.838 Base-Backbone interact. energy: -0.274 local terms energy: -24.032062 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -57.107266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.107266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.107266 (E_RNA) where: Base-Base interactions energy: -35.376 where: short stacking energy: -17.490 Base-Backbone interact. energy: 1.912 local terms energy: -23.642854 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -108.827909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.827909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.827909 (E_RNA) where: Base-Base interactions energy: -72.061 where: short stacking energy: -34.531 Base-Backbone interact. energy: -0.527 local terms energy: -36.239734 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -6.868 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -6.950 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: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -103.857043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.857043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.857043 (E_RNA) where: Base-Base interactions energy: -68.026 where: short stacking energy: -33.302 Base-Backbone interact. energy: -0.307 local terms energy: -35.524453 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.898 flat angles P-C4'-P energy: -4.399 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -98.312331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.312331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.312331 (E_RNA) where: Base-Base interactions energy: -70.803 where: short stacking energy: -33.247 Base-Backbone interact. energy: -0.047 local terms energy: -27.462933 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -0.485 tors. eta vs tors. theta energy: -8.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -108.589102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.589102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.589102 (E_RNA) where: Base-Base interactions energy: -70.427 where: short stacking energy: -35.337 Base-Backbone interact. energy: -0.741 local terms energy: -37.420731 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -8.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -74.275065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.275065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.275065 (E_RNA) where: Base-Base interactions energy: -47.789 where: short stacking energy: -21.761 Base-Backbone interact. energy: -0.086 local terms energy: -26.399688 where: bonds (distance) C4'-P energy: -5.593 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -2.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -105.636521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.636521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.636521 (E_RNA) where: Base-Base interactions energy: -70.909 where: short stacking energy: -36.721 Base-Backbone interact. energy: -1.649 local terms energy: -33.078178 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -3.594 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: 7, replica: 4 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -97.484453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.484453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.484453 (E_RNA) where: Base-Base interactions energy: -64.087 where: short stacking energy: -32.828 Base-Backbone interact. energy: 0.028 local terms energy: -33.425633 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -7.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -48.415813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.415813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.415813 (E_RNA) where: Base-Base interactions energy: -22.209 where: short stacking energy: -14.585 Base-Backbone interact. energy: 0.269 local terms energy: -26.475609 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.138 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -6.289 tors. eta vs tors. theta energy: 0.779 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: 9, replica: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -44.054159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.054159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.054159 (E_RNA) where: Base-Base interactions energy: -18.806 where: short stacking energy: -18.806 Base-Backbone interact. energy: -0.694 local terms energy: -24.554299 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -5.650 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -5.115 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: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -51.108607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.108607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.108607 (E_RNA) where: Base-Base interactions energy: -21.639 where: short stacking energy: -21.639 Base-Backbone interact. energy: -0.000 local terms energy: -29.469268 where: bonds (distance) C4'-P energy: -5.646 bonds (distance) P-C4' energy: -7.186 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -4.760 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: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -105.441637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.441637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.441637 (E_RNA) where: Base-Base interactions energy: -71.321 where: short stacking energy: -34.772 Base-Backbone interact. energy: 1.186 local terms energy: -35.306842 where: bonds (distance) C4'-P energy: -7.179 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -6.730 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: 8 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -110.295509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.295509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.295509 (E_RNA) where: Base-Base interactions energy: -72.082 where: short stacking energy: -36.725 Base-Backbone interact. energy: -1.743 local terms energy: -36.469811 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -5.421 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: 3, replica: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -111.581977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.581977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.581977 (E_RNA) where: Base-Base interactions energy: -80.988 where: short stacking energy: -30.314 Base-Backbone interact. energy: -0.008 local terms energy: -30.586160 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -7.485 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -1.790 tors. eta vs tors. theta energy: -7.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -72.672737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.672737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.672737 (E_RNA) where: Base-Base interactions energy: -34.548 where: short stacking energy: -34.548 Base-Backbone interact. energy: -0.001 local terms energy: -38.123293 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -8.669 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: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -98.553219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.553219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.553219 (E_RNA) where: Base-Base interactions energy: -60.190 where: short stacking energy: -29.295 Base-Backbone interact. energy: -1.010 local terms energy: -37.353180 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -6.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -105.179063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.179063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.179063 (E_RNA) where: Base-Base interactions energy: -71.161 where: short stacking energy: -34.687 Base-Backbone interact. energy: -0.194 local terms energy: -33.824248 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -6.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -93.930919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.930919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.930919 (E_RNA) where: Base-Base interactions energy: -64.698 where: short stacking energy: -27.452 Base-Backbone interact. energy: -0.036 local terms energy: -29.196902 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -2.444 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: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -55.125336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.125336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.125336 (E_RNA) where: Base-Base interactions energy: -22.717 where: short stacking energy: -22.717 Base-Backbone interact. energy: -0.007 local terms energy: -32.400859 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -6.372 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -6.450 tors. eta vs tors. theta energy: -5.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -66.947691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.947691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.947691 (E_RNA) where: Base-Base interactions energy: -43.099 where: short stacking energy: -14.511 Base-Backbone interact. energy: -0.022 local terms energy: -23.827637 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -2.100 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: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -63.295032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.295032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.295032 (E_RNA) where: Base-Base interactions energy: -42.790 where: short stacking energy: -13.958 Base-Backbone interact. energy: -0.026 local terms energy: -20.478841 where: bonds (distance) C4'-P energy: -3.018 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -0.994 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: 8 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -112.589345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.589345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.589345 (E_RNA) where: Base-Base interactions energy: -74.580 where: short stacking energy: -37.122 Base-Backbone interact. energy: -1.168 local terms energy: -36.842104 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -8.639 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: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -108.199397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.199397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.199397 (E_RNA) where: Base-Base interactions energy: -69.908 where: short stacking energy: -35.958 Base-Backbone interact. energy: -1.272 local terms energy: -37.019271 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: -7.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -103.799664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.799664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.799664 (E_RNA) where: Base-Base interactions energy: -69.158 where: short stacking energy: -35.374 Base-Backbone interact. energy: -0.728 local terms energy: -33.913005 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -7.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -72.535887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.535887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.535887 (E_RNA) where: Base-Base interactions energy: -36.357 where: short stacking energy: -36.357 Base-Backbone interact. energy: -0.053 local terms energy: -36.126220 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.800 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -6.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -104.191077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.191077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.191077 (E_RNA) where: Base-Base interactions energy: -67.016 where: short stacking energy: -36.340 Base-Backbone interact. energy: -0.009 local terms energy: -37.165985 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -6.177 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: 20 Temperature: 1.150000 Total energy: -101.223579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.223579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.223579 (E_RNA) where: Base-Base interactions energy: -68.334 where: short stacking energy: -32.674 Base-Backbone interact. energy: -0.172 local terms energy: -32.717014 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -7.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -92.061426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.061426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.061426 (E_RNA) where: Base-Base interactions energy: -65.416 where: short stacking energy: -30.741 Base-Backbone interact. energy: -0.251 local terms energy: -26.393715 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: 0.992 tors. eta vs tors. theta energy: -8.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -58.324723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.324723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.324723 (E_RNA) where: Base-Base interactions energy: -29.936 where: short stacking energy: -29.936 Base-Backbone interact. energy: -0.013 local terms energy: -28.374991 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -3.298 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -8.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -49.237924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.237924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.237924 (E_RNA) where: Base-Base interactions energy: -20.628 where: short stacking energy: -12.128 Base-Backbone interact. energy: -1.522 local terms energy: -27.087764 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: 1.299 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: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -56.249069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.249069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.249069 (E_RNA) where: Base-Base interactions energy: -28.354 where: short stacking energy: -27.655 Base-Backbone interact. energy: -0.000 local terms energy: -27.895134 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -5.539 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -110.103580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.103580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.103580 (E_RNA) where: Base-Base interactions energy: -74.232 where: short stacking energy: -37.584 Base-Backbone interact. energy: -1.337 local terms energy: -34.533793 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -7.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -106.710220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.710220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.710220 (E_RNA) where: Base-Base interactions energy: -65.870 where: short stacking energy: -31.080 Base-Backbone interact. energy: -1.494 local terms energy: -39.345631 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.007 flat angles P-C4'-P energy: -7.393 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: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -97.975172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.975172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.975172 (E_RNA) where: Base-Base interactions energy: -64.271 where: short stacking energy: -31.336 Base-Backbone interact. energy: -0.017 local terms energy: -33.686717 where: bonds (distance) C4'-P energy: -4.326 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -6.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -92.826348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.826348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.826348 (E_RNA) where: Base-Base interactions energy: -61.044 where: short stacking energy: -29.242 Base-Backbone interact. energy: -0.000 local terms energy: -31.781953 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -6.145 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: 5, replica: 9 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -78.935966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.935966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.935966 (E_RNA) where: Base-Base interactions energy: -39.976 where: short stacking energy: -39.976 Base-Backbone interact. energy: -0.000 local terms energy: -38.959958 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.455 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -8.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -103.181184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.181184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.181184 (E_RNA) where: Base-Base interactions energy: -74.063 where: short stacking energy: -33.322 Base-Backbone interact. energy: 0.635 local terms energy: -29.752600 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.049 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -4.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -91.497888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.497888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.497888 (E_RNA) where: Base-Base interactions energy: -60.163 where: short stacking energy: -24.640 Base-Backbone interact. energy: -0.308 local terms energy: -31.027136 where: bonds (distance) C4'-P energy: -4.321 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -6.183 tors. eta vs tors. theta energy: -4.355 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: 5 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -64.180197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.180197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.180197 (E_RNA) where: Base-Base interactions energy: -33.441 where: short stacking energy: -23.185 Base-Backbone interact. energy: -0.004 local terms energy: -30.734805 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -5.300 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -44.916361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.916361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.916361 (E_RNA) where: Base-Base interactions energy: -17.830 where: short stacking energy: -17.830 Base-Backbone interact. energy: -0.055 local terms energy: -27.030890 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -4.209 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: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -52.636434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.636434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.636434 (E_RNA) where: Base-Base interactions energy: -26.480 where: short stacking energy: -16.997 Base-Backbone interact. energy: -0.060 local terms energy: -26.096483 where: bonds (distance) C4'-P energy: -3.530 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -2.485 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -108.908272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.908272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.908272 (E_RNA) where: Base-Base interactions energy: -69.255 where: short stacking energy: -37.499 Base-Backbone interact. energy: -0.290 local terms energy: -39.363716 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -8.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -113.895592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.895592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.895592 (E_RNA) where: Base-Base interactions energy: -75.734 where: short stacking energy: -35.250 Base-Backbone interact. energy: -1.702 local terms energy: -36.459511 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -7.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -101.869162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.869162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.869162 (E_RNA) where: Base-Base interactions energy: -63.942 where: short stacking energy: -35.406 Base-Backbone interact. energy: -0.007 local terms energy: -37.919903 where: bonds (distance) C4'-P energy: -6.555 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.563 flat angles P-C4'-P energy: -7.518 tors. eta vs tors. theta energy: -5.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -98.052527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.052527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.052527 (E_RNA) where: Base-Base interactions energy: -63.597 where: short stacking energy: -31.295 Base-Backbone interact. energy: -0.240 local terms energy: -34.215950 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -6.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -97.114369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.114369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.114369 (E_RNA) where: Base-Base interactions energy: -65.193 where: short stacking energy: -35.755 Base-Backbone interact. energy: -0.073 local terms energy: -31.847611 where: bonds (distance) C4'-P energy: -4.844 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -6.858 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: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -66.266298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.266298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.266298 (E_RNA) where: Base-Base interactions energy: -32.262 where: short stacking energy: -28.338 Base-Backbone interact. energy: -0.017 local terms energy: -33.987499 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -7.257 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: 1 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -97.704413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.704413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.704413 (E_RNA) where: Base-Base interactions energy: -76.521 where: short stacking energy: -26.606 Base-Backbone interact. energy: -0.018 local terms energy: -21.166111 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -2.415 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -2.154 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: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -71.235020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.235020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.235020 (E_RNA) where: Base-Base interactions energy: -37.820 where: short stacking energy: -37.820 Base-Backbone interact. energy: -0.000 local terms energy: -33.414663 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: -6.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -52.560590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.560590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.560590 (E_RNA) where: Base-Base interactions energy: -32.892 where: short stacking energy: -20.105 Base-Backbone interact. energy: 1.851 local terms energy: -21.519634 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: 0.318 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: 22 Temperature: 1.350000 Total energy: -59.225919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.225919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.225919 (E_RNA) where: Base-Base interactions energy: -28.763 where: short stacking energy: -21.691 Base-Backbone interact. energy: -0.107 local terms energy: -30.356136 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -107.598255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.598255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.598255 (E_RNA) where: Base-Base interactions energy: -69.336 where: short stacking energy: -37.122 Base-Backbone interact. energy: -0.207 local terms energy: -38.055502 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.960 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -7.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -108.786905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.786905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.786905 (E_RNA) where: Base-Base interactions energy: -73.052 where: short stacking energy: -37.470 Base-Backbone interact. energy: -0.953 local terms energy: -34.781779 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -7.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -106.638284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.638284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.638284 (E_RNA) where: Base-Base interactions energy: -74.352 where: short stacking energy: -35.930 Base-Backbone interact. energy: -0.011 local terms energy: -32.275009 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -6.006 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: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -105.963052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.963052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.963052 (E_RNA) where: Base-Base interactions energy: -69.117 where: short stacking energy: -35.138 Base-Backbone interact. energy: -0.712 local terms energy: -36.134207 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: -7.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -95.635465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.635465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.635465 (E_RNA) where: Base-Base interactions energy: -67.748 where: short stacking energy: -31.071 Base-Backbone interact. energy: -0.138 local terms energy: -27.749176 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -2.272 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: 6, replica: 1 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -101.354574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.354574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.354574 (E_RNA) where: Base-Base interactions energy: -63.360 where: short stacking energy: -27.328 Base-Backbone interact. energy: -0.382 local terms energy: -37.612200 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -7.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -67.173474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.173474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.173474 (E_RNA) where: Base-Base interactions energy: -34.201 where: short stacking energy: -34.201 Base-Backbone interact. energy: -0.016 local terms energy: -32.956704 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -5.820 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -7.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -59.097376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.097376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.097376 (E_RNA) where: Base-Base interactions energy: -39.574 where: short stacking energy: -21.083 Base-Backbone interact. energy: 2.809 local terms energy: -22.331548 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -2.584 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: 9, replica: 5 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -61.637303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.637303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.637303 (E_RNA) where: Base-Base interactions energy: -33.202 where: short stacking energy: -27.801 Base-Backbone interact. energy: -0.003 local terms energy: -28.432489 where: bonds (distance) C4'-P energy: -2.314 bonds (distance) P-C4' energy: -7.619 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -4.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -53.595581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.595581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.595581 (E_RNA) where: Base-Base interactions energy: -20.861 where: short stacking energy: -20.861 Base-Backbone interact. energy: -0.099 local terms energy: -32.636033 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -6.279 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: 1, replica: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -110.512132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.512132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.512132 (E_RNA) where: Base-Base interactions energy: -75.679 where: short stacking energy: -38.500 Base-Backbone interact. energy: -0.276 local terms energy: -34.556944 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -7.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -105.875051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.875051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.875051 (E_RNA) where: Base-Base interactions energy: -70.642 where: short stacking energy: -35.549 Base-Backbone interact. energy: -0.002 local terms energy: -35.230758 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -8.999 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -105.372950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.372950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.372950 (E_RNA) where: Base-Base interactions energy: -73.367 where: short stacking energy: -38.683 Base-Backbone interact. energy: -0.021 local terms energy: -31.984638 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -2.358 tors. eta vs tors. theta energy: -8.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -102.664587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.664587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.664587 (E_RNA) where: Base-Base interactions energy: -68.697 where: short stacking energy: -34.273 Base-Backbone interact. energy: -0.640 local terms energy: -33.327005 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -7.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -90.775069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.775069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.775069 (E_RNA) where: Base-Base interactions energy: -58.026 where: short stacking energy: -26.742 Base-Backbone interact. energy: -0.580 local terms energy: -32.169128 where: bonds (distance) C4'-P energy: -7.546 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -1.393 tors. eta vs tors. theta energy: -6.367 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: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -99.267736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.267736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.267736 (E_RNA) where: Base-Base interactions energy: -70.490 where: short stacking energy: -31.642 Base-Backbone interact. energy: -0.018 local terms energy: -28.759188 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -8.290 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -54.074400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.074400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.074400 (E_RNA) where: Base-Base interactions energy: -25.592 where: short stacking energy: -25.592 Base-Backbone interact. energy: -0.006 local terms energy: -28.475786 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.245 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -4.153 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: 8, replica: 10 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -77.296307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.296307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.296307 (E_RNA) where: Base-Base interactions energy: -50.578 where: short stacking energy: -22.964 Base-Backbone interact. energy: -0.043 local terms energy: -26.674942 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -6.687 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -52.213868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.213868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.213868 (E_RNA) where: Base-Base interactions energy: -27.398 where: short stacking energy: -27.398 Base-Backbone interact. energy: -0.000 local terms energy: -24.815688 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -2.945 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: 0.275 tors. eta vs tors. theta energy: -6.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -56.627468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.627468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.627468 (E_RNA) where: Base-Base interactions energy: -29.070 where: short stacking energy: -29.070 Base-Backbone interact. energy: -0.008 local terms energy: -27.549345 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -4.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -108.528228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.528228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.528228 (E_RNA) where: Base-Base interactions energy: -73.723 where: short stacking energy: -37.634 Base-Backbone interact. energy: -0.405 local terms energy: -34.400971 where: bonds (distance) C4'-P energy: -4.893 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -8.129 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: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -109.903957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.903957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.903957 (E_RNA) where: Base-Base interactions energy: -73.445 where: short stacking energy: -37.118 Base-Backbone interact. energy: -1.616 local terms energy: -34.842863 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -105.132258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.132258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.132258 (E_RNA) where: Base-Base interactions energy: -70.259 where: short stacking energy: -35.324 Base-Backbone interact. energy: -0.001 local terms energy: -34.873059 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -100.282506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.282506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.282506 (E_RNA) where: Base-Base interactions energy: -68.067 where: short stacking energy: -29.236 Base-Backbone interact. energy: -0.006 local terms energy: -32.210337 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -7.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -104.410920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.410920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.410920 (E_RNA) where: Base-Base interactions energy: -67.079 where: short stacking energy: -35.795 Base-Backbone interact. energy: -0.450 local terms energy: -36.881695 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -6.621 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: 6, replica: 1 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -107.553941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.553941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.553941 (E_RNA) where: Base-Base interactions energy: -71.805 where: short stacking energy: -35.025 Base-Backbone interact. energy: -1.263 local terms energy: -34.485185 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -5.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -58.819204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.819204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.819204 (E_RNA) where: Base-Base interactions energy: -32.953 where: short stacking energy: -22.956 Base-Backbone interact. energy: -1.943 local terms energy: -23.923655 where: bonds (distance) C4'-P energy: -8.474 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -0.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -62.668346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.668346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.668346 (E_RNA) where: Base-Base interactions energy: -32.817 where: short stacking energy: -29.855 Base-Backbone interact. energy: -0.000 local terms energy: -29.850980 where: bonds (distance) C4'-P energy: -2.910 bonds (distance) P-C4' energy: -6.127 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -9.893 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: 5 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -52.179217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.179217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.179217 (E_RNA) where: Base-Base interactions energy: -25.283 where: short stacking energy: -19.524 Base-Backbone interact. energy: -0.712 local terms energy: -26.184358 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -2.567 tors. eta vs tors. theta energy: -4.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -42.465615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.465615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.465615 (E_RNA) where: Base-Base interactions energy: -22.204 where: short stacking energy: -12.515 Base-Backbone interact. energy: 0.683 local terms energy: -20.943863 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -3.882 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: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -103.242093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.242093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.242093 (E_RNA) where: Base-Base interactions energy: -76.298 where: short stacking energy: -32.122 Base-Backbone interact. energy: -0.143 local terms energy: -26.801439 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -6.049 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: 2, replica: 8 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -107.996597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.996597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.996597 (E_RNA) where: Base-Base interactions energy: -68.816 where: short stacking energy: -34.516 Base-Backbone interact. energy: -0.416 local terms energy: -38.764632 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -6.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -109.038462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.038462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.038462 (E_RNA) where: Base-Base interactions energy: -83.318 where: short stacking energy: -35.267 Base-Backbone interact. energy: -0.092 local terms energy: -25.629308 where: bonds (distance) C4'-P energy: -2.512 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -2.989 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: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -106.789528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.789528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.789528 (E_RNA) where: Base-Base interactions energy: -72.914 where: short stacking energy: -31.782 Base-Backbone interact. energy: -0.289 local terms energy: -33.585666 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -3.952 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: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -104.555651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.555651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.555651 (E_RNA) where: Base-Base interactions energy: -67.325 where: short stacking energy: -33.107 Base-Backbone interact. energy: -0.921 local terms energy: -36.309914 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -6.954 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -6.378 tors. eta vs tors. theta energy: -8.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -99.663785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.663785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.663785 (E_RNA) where: Base-Base interactions energy: -68.086 where: short stacking energy: -31.600 Base-Backbone interact. energy: -0.004 local terms energy: -31.574238 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -57.928921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.928921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.928921 (E_RNA) where: Base-Base interactions energy: -29.310 where: short stacking energy: -29.310 Base-Backbone interact. energy: -0.010 local terms energy: -28.609093 where: bonds (distance) C4'-P energy: -5.235 bonds (distance) P-C4' energy: -5.618 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -6.521 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: 8, replica: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -51.770142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.770142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.770142 (E_RNA) where: Base-Base interactions energy: -26.861 where: short stacking energy: -19.075 Base-Backbone interact. energy: -0.079 local terms energy: -24.830384 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.300 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: 2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -54.309050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.309050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.309050 (E_RNA) where: Base-Base interactions energy: -25.264 where: short stacking energy: -13.530 Base-Backbone interact. energy: -0.001 local terms energy: -29.043692 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -6.084 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -4.170 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: 26 Temperature: 1.350000 Total energy: -52.023604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.023604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.023604 (E_RNA) where: Base-Base interactions energy: -19.551 where: short stacking energy: -19.551 Base-Backbone interact. energy: -0.029 local terms energy: -32.444264 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.179 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -109.989715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.989715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.989715 (E_RNA) where: Base-Base interactions energy: -70.832 where: short stacking energy: -36.310 Base-Backbone interact. energy: -0.025 local terms energy: -39.133399 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -8.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -107.585081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.585081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.585081 (E_RNA) where: Base-Base interactions energy: -70.356 where: short stacking energy: -33.336 Base-Backbone interact. energy: -0.236 local terms energy: -36.992414 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -8.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -100.582362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.582362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.582362 (E_RNA) where: Base-Base interactions energy: -68.361 where: short stacking energy: -32.769 Base-Backbone interact. energy: -0.166 local terms energy: -32.055093 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -4.336 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: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -98.815997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.815997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.815997 (E_RNA) where: Base-Base interactions energy: -68.591 where: short stacking energy: -29.339 Base-Backbone interact. energy: -0.003 local terms energy: -30.222316 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -6.910 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: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -103.270744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.270744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.270744 (E_RNA) where: Base-Base interactions energy: -68.930 where: short stacking energy: -35.215 Base-Backbone interact. energy: -2.254 local terms energy: -32.085924 where: bonds (distance) C4'-P energy: -5.449 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -7.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -94.000205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.000205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.000205 (E_RNA) where: Base-Base interactions energy: -60.047 where: short stacking energy: -29.561 Base-Backbone interact. energy: -0.922 local terms energy: -33.031240 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -3.628 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: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -59.779120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.779120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.779120 (E_RNA) where: Base-Base interactions energy: -25.639 where: short stacking energy: -25.639 Base-Backbone interact. energy: -0.002 local terms energy: -34.138004 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -6.146 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: 8, replica: 7 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -68.271210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.271210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.271210 (E_RNA) where: Base-Base interactions energy: -36.090 where: short stacking energy: -16.886 Base-Backbone interact. energy: -0.000 local terms energy: -32.181149 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -3.086 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: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -56.027233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.027233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.027233 (E_RNA) where: Base-Base interactions energy: -35.186 where: short stacking energy: -19.279 Base-Backbone interact. energy: -0.177 local terms energy: -20.664087 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -3.835 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -48.991002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.991002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.991002 (E_RNA) where: Base-Base interactions energy: -22.702 where: short stacking energy: -22.702 Base-Backbone interact. energy: 1.392 local terms energy: -27.681293 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -4.454 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: 1, replica: 8 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -108.575556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.575556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.575556 (E_RNA) where: Base-Base interactions energy: -77.349 where: short stacking energy: -33.265 Base-Backbone interact. energy: -0.296 local terms energy: -30.930147 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: -5.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -107.453248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.453248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.453248 (E_RNA) where: Base-Base interactions energy: -70.789 where: short stacking energy: -34.602 Base-Backbone interact. energy: -0.109 local terms energy: -36.555273 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -7.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -100.480944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.480944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.480944 (E_RNA) where: Base-Base interactions energy: -67.131 where: short stacking energy: -29.817 Base-Backbone interact. energy: -0.080 local terms energy: -33.269898 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.782 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -106.029647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.029647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.029647 (E_RNA) where: Base-Base interactions energy: -70.336 where: short stacking energy: -36.269 Base-Backbone interact. energy: -1.331 local terms energy: -34.363408 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -5.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -96.550456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.550456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.550456 (E_RNA) where: Base-Base interactions energy: -63.363 where: short stacking energy: -28.128 Base-Backbone interact. energy: -0.001 local terms energy: -33.186578 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -6.403 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: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -101.896756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.896756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.896756 (E_RNA) where: Base-Base interactions energy: -68.936 where: short stacking energy: -31.694 Base-Backbone interact. energy: -1.296 local terms energy: -31.664140 where: bonds (distance) C4'-P energy: -3.696 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -8.198 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -6.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -53.905028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.905028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.905028 (E_RNA) where: Base-Base interactions energy: -26.169 where: short stacking energy: -21.542 Base-Backbone interact. energy: -0.480 local terms energy: -27.255663 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -2.077 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: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -54.522027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.522027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.522027 (E_RNA) where: Base-Base interactions energy: -25.332 where: short stacking energy: -21.041 Base-Backbone interact. energy: 1.221 local terms energy: -30.411394 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -1.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -52.882933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.882933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.882933 (E_RNA) where: Base-Base interactions energy: -25.948 where: short stacking energy: -25.948 Base-Backbone interact. energy: -0.002 local terms energy: -26.933387 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: 0.044 tors. eta vs tors. theta energy: -3.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -46.779435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.779435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.779435 (E_RNA) where: Base-Base interactions energy: -22.251 where: short stacking energy: -15.447 Base-Backbone interact. energy: -0.149 local terms energy: -24.379091 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -0.822 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: 1, replica: 8 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -112.297643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.297643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.297643 (E_RNA) where: Base-Base interactions energy: -71.617 where: short stacking energy: -34.559 Base-Backbone interact. energy: -1.303 local terms energy: -39.377514 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: -8.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -107.719332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.719332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.719332 (E_RNA) where: Base-Base interactions energy: -72.201 where: short stacking energy: -37.553 Base-Backbone interact. energy: -0.911 local terms energy: -34.606561 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -6.626 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: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -108.273645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.273645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.273645 (E_RNA) where: Base-Base interactions energy: -74.278 where: short stacking energy: -33.979 Base-Backbone interact. energy: -0.099 local terms energy: -33.895835 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -5.779 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: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -103.934479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.934479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.934479 (E_RNA) where: Base-Base interactions energy: -69.894 where: short stacking energy: -34.840 Base-Backbone interact. energy: -0.354 local terms energy: -33.686437 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -4.895 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: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -103.818884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.818884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.818884 (E_RNA) where: Base-Base interactions energy: -67.733 where: short stacking energy: -32.234 Base-Backbone interact. energy: -0.008 local terms energy: -36.077835 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -7.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -102.181986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.181986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.181986 (E_RNA) where: Base-Base interactions energy: -66.121 where: short stacking energy: -31.454 Base-Backbone interact. energy: -1.021 local terms energy: -35.039251 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -6.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -74.576637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.576637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.576637 (E_RNA) where: Base-Base interactions energy: -46.222 where: short stacking energy: -13.695 Base-Backbone interact. energy: -0.118 local terms energy: -28.237558 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -6.240 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: 8, replica: 5 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -61.434771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.434771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.434771 (E_RNA) where: Base-Base interactions energy: -33.278 where: short stacking energy: -33.278 Base-Backbone interact. energy: -0.001 local terms energy: -28.156261 where: bonds (distance) C4'-P energy: -4.678 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -1.423 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: 29 Temperature: 1.300000 Total energy: -52.945684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.945684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.945684 (E_RNA) where: Base-Base interactions energy: -21.352 where: short stacking energy: -20.220 Base-Backbone interact. energy: -0.136 local terms energy: -31.457143 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -1.848 flat angles P-C4'-P energy: -6.504 tors. eta vs tors. theta energy: -8.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -56.297697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.297697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.297697 (E_RNA) where: Base-Base interactions energy: -26.645 where: short stacking energy: -26.645 Base-Backbone interact. energy: -0.012 local terms energy: -29.640235 where: bonds (distance) C4'-P energy: -6.458 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -3.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -112.058174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.058174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.058174 (E_RNA) where: Base-Base interactions energy: -73.232 where: short stacking energy: -36.479 Base-Backbone interact. energy: -1.065 local terms energy: -37.760724 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -8.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -107.624542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.624542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.624542 (E_RNA) where: Base-Base interactions energy: -70.487 where: short stacking energy: -36.741 Base-Backbone interact. energy: -1.048 local terms energy: -36.090177 where: bonds (distance) C4'-P energy: -5.830 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -6.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -104.967256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.967256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.967256 (E_RNA) where: Base-Base interactions energy: -74.114 where: short stacking energy: -30.960 Base-Backbone interact. energy: -0.038 local terms energy: -30.815736 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -6.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -100.191765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.191765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.191765 (E_RNA) where: Base-Base interactions energy: -67.175 where: short stacking energy: -32.661 Base-Backbone interact. energy: 0.332 local terms energy: -33.348646 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -4.951 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: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -105.877123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.877123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.877123 (E_RNA) where: Base-Base interactions energy: -73.395 where: short stacking energy: -31.593 Base-Backbone interact. energy: -0.408 local terms energy: -32.074537 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -5.778 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: 6, replica: 1 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -94.169040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.169040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.169040 (E_RNA) where: Base-Base interactions energy: -60.044 where: short stacking energy: -27.927 Base-Backbone interact. energy: -1.492 local terms energy: -32.632483 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -5.735 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: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -76.144579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.144579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.144579 (E_RNA) where: Base-Base interactions energy: -45.589 where: short stacking energy: -25.592 Base-Backbone interact. energy: -0.002 local terms energy: -30.553696 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: 0.067 tors. eta vs tors. theta energy: -7.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -65.834186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.834186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.834186 (E_RNA) where: Base-Base interactions energy: -37.506 where: short stacking energy: -22.480 Base-Backbone interact. energy: -0.606 local terms energy: -27.722406 where: bonds (distance) C4'-P energy: -5.414 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -54.286932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.286932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.286932 (E_RNA) where: Base-Base interactions energy: -24.635 where: short stacking energy: -24.635 Base-Backbone interact. energy: -0.000 local terms energy: -29.651300 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -5.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -56.222969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.222969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.222969 (E_RNA) where: Base-Base interactions energy: -28.517 where: short stacking energy: -26.788 Base-Backbone interact. energy: 0.981 local terms energy: -28.687485 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -1.210 tors. eta vs tors. theta energy: -8.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -112.315263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.315263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.315263 (E_RNA) where: Base-Base interactions energy: -70.213 where: short stacking energy: -35.684 Base-Backbone interact. energy: -1.004 local terms energy: -41.098155 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -7.550 tors. eta vs tors. theta energy: -7.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -108.761507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.761507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.761507 (E_RNA) where: Base-Base interactions energy: -70.972 where: short stacking energy: -35.492 Base-Backbone interact. energy: -0.055 local terms energy: -37.733720 where: bonds (distance) C4'-P energy: -7.576 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -5.535 tors. eta vs tors. theta energy: -7.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -108.622160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.622160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.622160 (E_RNA) where: Base-Base interactions energy: -69.121 where: short stacking energy: -34.621 Base-Backbone interact. energy: -1.801 local terms energy: -37.699746 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -8.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -102.596902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.596902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.596902 (E_RNA) where: Base-Base interactions energy: -65.560 where: short stacking energy: -30.301 Base-Backbone interact. energy: -0.356 local terms energy: -36.680613 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -6.226 tors. eta vs tors. theta energy: -7.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -98.398210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.398210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.398210 (E_RNA) where: Base-Base interactions energy: -66.594 where: short stacking energy: -32.492 Base-Backbone interact. energy: -0.265 local terms energy: -31.539455 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -5.791 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: 6, replica: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -90.894298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.894298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.894298 (E_RNA) where: Base-Base interactions energy: -59.198 where: short stacking energy: -27.203 Base-Backbone interact. energy: -0.432 local terms energy: -31.264623 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -8.154 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -6.122 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: 7, replica: 7 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -65.946289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.946289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.946289 (E_RNA) where: Base-Base interactions energy: -27.594 where: short stacking energy: -27.475 Base-Backbone interact. energy: -0.608 local terms energy: -37.744535 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -7.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -60.976107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.976107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.976107 (E_RNA) where: Base-Base interactions energy: -26.946 where: short stacking energy: -19.970 Base-Backbone interact. energy: -0.026 local terms energy: -34.004025 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -7.959 flat angles P-C4'-P energy: -5.448 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: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -52.853602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.853602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.853602 (E_RNA) where: Base-Base interactions energy: -29.511 where: short stacking energy: -19.848 Base-Backbone interact. energy: -0.463 local terms energy: -22.879489 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -1.188 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: -0.478 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: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -50.497166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.497166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.497166 (E_RNA) where: Base-Base interactions energy: -20.949 where: short stacking energy: -20.949 Base-Backbone interact. energy: -0.002 local terms energy: -29.546431 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -4.137 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: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -111.150223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.150223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.150223 (E_RNA) where: Base-Base interactions energy: -72.791 where: short stacking energy: -35.384 Base-Backbone interact. energy: -0.002 local terms energy: -38.357559 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.041 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -8.596 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: 2, replica: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -108.621948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.621948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.621948 (E_RNA) where: Base-Base interactions energy: -72.603 where: short stacking energy: -35.911 Base-Backbone interact. energy: -0.123 local terms energy: -35.895378 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -6.689 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: 3, replica: 8 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -103.612083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.612083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.612083 (E_RNA) where: Base-Base interactions energy: -66.641 where: short stacking energy: -34.198 Base-Backbone interact. energy: -0.007 local terms energy: -36.964097 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -7.490 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: 32 Temperature: 1.050000 Total energy: -107.419310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.419310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.419310 (E_RNA) where: Base-Base interactions energy: -77.589 where: short stacking energy: -34.048 Base-Backbone interact. energy: -0.004 local terms energy: -29.826055 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.649 flat angles P-C4'-P energy: -1.764 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: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -93.706850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.706850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.706850 (E_RNA) where: Base-Base interactions energy: -61.558 where: short stacking energy: -26.925 Base-Backbone interact. energy: -0.051 local terms energy: -32.097434 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.494 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -102.686615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.686615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.686615 (E_RNA) where: Base-Base interactions energy: -67.870 where: short stacking energy: -30.067 Base-Backbone interact. energy: -0.211 local terms energy: -34.605374 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.474 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -65.520674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.520674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.520674 (E_RNA) where: Base-Base interactions energy: -31.539 where: short stacking energy: -31.539 Base-Backbone interact. energy: -0.000 local terms energy: -33.981754 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -3.906 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: 8, replica: 7 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -57.426554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.426554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.426554 (E_RNA) where: Base-Base interactions energy: -28.391 where: short stacking energy: -26.435 Base-Backbone interact. energy: -0.003 local terms energy: -29.033217 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -3.396 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: 9, replica: 10 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -73.638574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.638574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.638574 (E_RNA) where: Base-Base interactions energy: -51.442 where: short stacking energy: -26.176 Base-Backbone interact. energy: -0.080 local terms energy: -22.117171 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: 0.671 tors. eta vs tors. theta energy: -5.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -60.753857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.753857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.753857 (E_RNA) where: Base-Base interactions energy: -29.315 where: short stacking energy: -15.774 Base-Backbone interact. energy: -0.054 local terms energy: -31.384888 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -2.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -110.063720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.063720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.063720 (E_RNA) where: Base-Base interactions energy: -69.104 where: short stacking energy: -32.019 Base-Backbone interact. energy: -0.014 local terms energy: -40.945893 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -9.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -108.712875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.712875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.712875 (E_RNA) where: Base-Base interactions energy: -70.032 where: short stacking energy: -33.924 Base-Backbone interact. energy: -1.199 local terms energy: -37.481854 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -8.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -98.530346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.530346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.530346 (E_RNA) where: Base-Base interactions energy: -69.231 where: short stacking energy: -32.536 Base-Backbone interact. energy: -0.042 local terms energy: -29.257484 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -7.929 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -7.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -99.071408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.071408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.071408 (E_RNA) where: Base-Base interactions energy: -68.023 where: short stacking energy: -33.109 Base-Backbone interact. energy: -0.000 local terms energy: -31.047927 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -2.177 tors. eta vs tors. theta energy: -6.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -95.543109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.543109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.543109 (E_RNA) where: Base-Base interactions energy: -68.397 where: short stacking energy: -23.761 Base-Backbone interact. energy: -0.244 local terms energy: -26.901549 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: 0.077 tors. eta vs tors. theta energy: -4.647 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: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -102.684991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.684991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.684991 (E_RNA) where: Base-Base interactions energy: -68.007 where: short stacking energy: -32.334 Base-Backbone interact. energy: -0.646 local terms energy: -34.031778 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -8.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -62.113485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.113485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.113485 (E_RNA) where: Base-Base interactions energy: -30.015 where: short stacking energy: -30.015 Base-Backbone interact. energy: -0.011 local terms energy: -32.087325 where: bonds (distance) C4'-P energy: -4.677 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -6.374 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: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -58.080895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.080895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.080895 (E_RNA) where: Base-Base interactions energy: -24.476 where: short stacking energy: -24.476 Base-Backbone interact. energy: -0.095 local terms energy: -33.509939 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.841 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -50.942881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.942881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.942881 (E_RNA) where: Base-Base interactions energy: -20.233 where: short stacking energy: -15.632 Base-Backbone interact. energy: -0.249 local terms energy: -30.461028 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -9.129 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -1.536 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: 33 Temperature: 1.350000 Total energy: -56.382106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.382106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.382106 (E_RNA) where: Base-Base interactions energy: -25.298 where: short stacking energy: -17.781 Base-Backbone interact. energy: -0.056 local terms energy: -31.028977 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -3.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -109.681805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.681805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.681805 (E_RNA) where: Base-Base interactions energy: -70.454 where: short stacking energy: -35.096 Base-Backbone interact. energy: -0.728 local terms energy: -38.499430 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -8.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -109.427474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.427474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.427474 (E_RNA) where: Base-Base interactions energy: -75.278 where: short stacking energy: -37.548 Base-Backbone interact. energy: -1.385 local terms energy: -32.764097 where: bonds (distance) C4'-P energy: -6.207 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -6.206 tors. eta vs tors. theta energy: -7.047 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: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -107.793799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.793799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.793799 (E_RNA) where: Base-Base interactions energy: -71.298 where: short stacking energy: -35.577 Base-Backbone interact. energy: -0.044 local terms energy: -36.451562 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -6.512 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: 4, replica: 6 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -100.215378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.215378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.215378 (E_RNA) where: Base-Base interactions energy: -68.180 where: short stacking energy: -33.220 Base-Backbone interact. energy: -0.003 local terms energy: -32.031961 where: bonds (distance) C4'-P energy: -6.508 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -4.834 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: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -102.044062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.044062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.044062 (E_RNA) where: Base-Base interactions energy: -67.951 where: short stacking energy: -34.881 Base-Backbone interact. energy: -0.416 local terms energy: -33.677477 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -5.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -98.035700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.035700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.035700 (E_RNA) where: Base-Base interactions energy: -63.828 where: short stacking energy: -33.359 Base-Backbone interact. energy: -0.040 local terms energy: -34.166792 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -7.880 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.742 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: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -59.741974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.741974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.741974 (E_RNA) where: Base-Base interactions energy: -30.206 where: short stacking energy: -25.162 Base-Backbone interact. energy: -0.036 local terms energy: -29.499743 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -5.863 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -4.538 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: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -49.996649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.996649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.996649 (E_RNA) where: Base-Base interactions energy: -23.181 where: short stacking energy: -23.181 Base-Backbone interact. energy: -0.001 local terms energy: -26.814934 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -48.785839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.785839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.785839 (E_RNA) where: Base-Base interactions energy: -22.211 where: short stacking energy: -22.211 Base-Backbone interact. energy: -0.230 local terms energy: -26.344918 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -4.032 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: 7 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -56.454424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.454424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.454424 (E_RNA) where: Base-Base interactions energy: -41.250 where: short stacking energy: -18.292 Base-Backbone interact. energy: -0.099 local terms energy: -15.104947 where: bonds (distance) C4'-P energy: -3.998 bonds (distance) P-C4' energy: -4.878 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -2.005 tors. eta vs tors. theta energy: 1.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -109.394344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.394344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.394344 (E_RNA) where: Base-Base interactions energy: -74.999 where: short stacking energy: -33.437 Base-Backbone interact. energy: -0.067 local terms energy: -34.327977 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -6.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -100.066643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.066643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.066643 (E_RNA) where: Base-Base interactions energy: -70.885 where: short stacking energy: -28.847 Base-Backbone interact. energy: 3.568 local terms energy: -32.749989 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -5.269 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: 3, replica: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -102.622445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.622445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.622445 (E_RNA) where: Base-Base interactions energy: -67.098 where: short stacking energy: -32.815 Base-Backbone interact. energy: 0.696 local terms energy: -36.220443 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -5.743 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: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -108.182805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.182805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.182805 (E_RNA) where: Base-Base interactions energy: -73.364 where: short stacking energy: -36.033 Base-Backbone interact. energy: 0.634 local terms energy: -35.453148 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -5.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -105.566668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.566668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.566668 (E_RNA) where: Base-Base interactions energy: -70.229 where: short stacking energy: -34.386 Base-Backbone interact. energy: -1.237 local terms energy: -34.100576 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -7.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -106.275896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.275896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.275896 (E_RNA) where: Base-Base interactions energy: -69.910 where: short stacking energy: -35.377 Base-Backbone interact. energy: -0.022 local terms energy: -36.343250 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -6.088 tors. eta vs tors. theta energy: -6.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -95.041990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.041990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.041990 (E_RNA) where: Base-Base interactions energy: -64.631 where: short stacking energy: -28.067 Base-Backbone interact. energy: -0.336 local terms energy: -30.075016 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -7.051 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: 8, replica: 5 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -60.264869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.264869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.264869 (E_RNA) where: Base-Base interactions energy: -36.616 where: short stacking energy: -22.892 Base-Backbone interact. energy: -0.153 local terms energy: -23.496272 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -1.911 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: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -89.591506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.591506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.591506 (E_RNA) where: Base-Base interactions energy: -65.231 where: short stacking energy: -32.452 Base-Backbone interact. energy: -0.258 local terms energy: -24.102432 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -3.341 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -2.458 tors. eta vs tors. theta energy: -5.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -50.662698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.662698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.662698 (E_RNA) where: Base-Base interactions energy: -29.478 where: short stacking energy: -12.758 Base-Backbone interact. energy: -0.163 local terms energy: -21.021633 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -3.557 flat angles P-C4'-P energy: -2.087 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: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -110.177112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.177112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.177112 (E_RNA) where: Base-Base interactions energy: -71.799 where: short stacking energy: -34.985 Base-Backbone interact. energy: -1.556 local terms energy: -36.822465 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -5.453 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: 2, replica: 4 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -106.874923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.874923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.874923 (E_RNA) where: Base-Base interactions energy: -72.216 where: short stacking energy: -35.940 Base-Backbone interact. energy: -0.004 local terms energy: -34.654910 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -6.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -106.226691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.226691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.226691 (E_RNA) where: Base-Base interactions energy: -68.625 where: short stacking energy: -33.703 Base-Backbone interact. energy: -0.009 local terms energy: -37.593529 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -4.035 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: 4, replica: 6 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -103.240131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.240131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.240131 (E_RNA) where: Base-Base interactions energy: -67.835 where: short stacking energy: -33.000 Base-Backbone interact. energy: -0.001 local terms energy: -35.404121 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -8.063 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: 1 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -102.013111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.013111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.013111 (E_RNA) where: Base-Base interactions energy: -66.172 where: short stacking energy: -34.197 Base-Backbone interact. energy: -0.006 local terms energy: -35.834896 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -7.082 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: 2 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -97.932067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.932067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.932067 (E_RNA) where: Base-Base interactions energy: -69.099 where: short stacking energy: -34.693 Base-Backbone interact. energy: -0.012 local terms energy: -28.820784 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -4.056 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -8.029 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: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -103.339309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.339309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.339309 (E_RNA) where: Base-Base interactions energy: -69.320 where: short stacking energy: -32.065 Base-Backbone interact. energy: -0.125 local terms energy: -33.894689 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -5.063 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: 8, replica: 5 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -51.866835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.866835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.866835 (E_RNA) where: Base-Base interactions energy: -22.138 where: short stacking energy: -22.138 Base-Backbone interact. energy: -0.000 local terms energy: -29.728331 where: bonds (distance) C4'-P energy: -5.254 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -4.504 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -7.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -105.398237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.398237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.398237 (E_RNA) where: Base-Base interactions energy: -81.477 where: short stacking energy: -37.041 Base-Backbone interact. energy: -0.083 local terms energy: -23.838083 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -4.883 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -0.431 tors. eta vs tors. theta energy: -6.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -58.277870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.277870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.277870 (E_RNA) where: Base-Base interactions energy: -30.674 where: short stacking energy: -18.842 Base-Backbone interact. energy: 0.099 local terms energy: -27.702615 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -4.493 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -112.284491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.284491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.284491 (E_RNA) where: Base-Base interactions energy: -74.940 where: short stacking energy: -37.025 Base-Backbone interact. energy: -1.013 local terms energy: -36.331551 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -104.864709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.864709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.864709 (E_RNA) where: Base-Base interactions energy: -69.163 where: short stacking energy: -35.290 Base-Backbone interact. energy: -1.637 local terms energy: -34.064374 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -5.295 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: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -108.329090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.329090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.329090 (E_RNA) where: Base-Base interactions energy: -71.322 where: short stacking energy: -37.580 Base-Backbone interact. energy: -1.006 local terms energy: -36.001312 where: bonds (distance) C4'-P energy: -7.629 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -8.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -110.817558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.817558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.817558 (E_RNA) where: Base-Base interactions energy: -81.109 where: short stacking energy: -33.452 Base-Backbone interact. energy: -0.022 local terms energy: -29.686440 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -6.654 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: 6 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -101.874873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.874873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.874873 (E_RNA) where: Base-Base interactions energy: -71.153 where: short stacking energy: -36.420 Base-Backbone interact. energy: -0.635 local terms energy: -30.086996 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -94.866509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.866509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.866509 (E_RNA) where: Base-Base interactions energy: -63.904 where: short stacking energy: -29.106 Base-Backbone interact. energy: -0.016 local terms energy: -30.945899 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -98.493978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.493978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.493978 (E_RNA) where: Base-Base interactions energy: -70.397 where: short stacking energy: -34.192 Base-Backbone interact. energy: 1.370 local terms energy: -29.467316 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -4.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -69.721320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.721320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.721320 (E_RNA) where: Base-Base interactions energy: -39.930 where: short stacking energy: -28.958 Base-Backbone interact. energy: -0.017 local terms energy: -29.774581 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -6.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -52.957599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.957599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.957599 (E_RNA) where: Base-Base interactions energy: -26.262 where: short stacking energy: -26.262 Base-Backbone interact. energy: -0.000 local terms energy: -26.694966 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -61.896276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.896276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.896276 (E_RNA) where: Base-Base interactions energy: -42.884 where: short stacking energy: -20.351 Base-Backbone interact. energy: -0.132 local terms energy: -18.880068 where: bonds (distance) C4'-P energy: -7.708 bonds (distance) P-C4' energy: -2.512 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -0.774 tors. eta vs tors. theta energy: 0.256 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: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -109.733214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.733214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.733214 (E_RNA) where: Base-Base interactions energy: -71.602 where: short stacking energy: -37.101 Base-Backbone interact. energy: -0.156 local terms energy: -37.975286 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -4.949 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: 2, replica: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -110.212940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.212940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.212940 (E_RNA) where: Base-Base interactions energy: -73.059 where: short stacking energy: -35.879 Base-Backbone interact. energy: -1.302 local terms energy: -35.851532 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -6.083 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: -8.911 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: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -111.134149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.134149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.134149 (E_RNA) where: Base-Base interactions energy: -82.959 where: short stacking energy: -32.319 Base-Backbone interact. energy: -0.064 local terms energy: -28.111210 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -7.742 flat angles P-C4'-P energy: 0.504 tors. eta vs tors. theta energy: -5.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -106.729864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.729864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.729864 (E_RNA) where: Base-Base interactions energy: -72.263 where: short stacking energy: -36.851 Base-Backbone interact. energy: -0.168 local terms energy: -34.299628 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -6.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -105.307302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.307302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.307302 (E_RNA) where: Base-Base interactions energy: -70.133 where: short stacking energy: -34.604 Base-Backbone interact. energy: -2.262 local terms energy: -32.912587 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -6.347 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -7.594 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: 10 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -106.228145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.228145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.228145 (E_RNA) where: Base-Base interactions energy: -68.009 where: short stacking energy: -32.397 Base-Backbone interact. energy: -1.558 local terms energy: -36.661114 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -7.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -92.833752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.833752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.833752 (E_RNA) where: Base-Base interactions energy: -62.141 where: short stacking energy: -29.421 Base-Backbone interact. energy: -0.363 local terms energy: -30.330469 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -5.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -58.622229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.622229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.622229 (E_RNA) where: Base-Base interactions energy: -23.648 where: short stacking energy: -23.606 Base-Backbone interact. energy: -0.047 local terms energy: -34.927386 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -7.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -54.945485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.945485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.945485 (E_RNA) where: Base-Base interactions energy: -21.820 where: short stacking energy: -20.011 Base-Backbone interact. energy: -0.003 local terms energy: -33.122089 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -5.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -60.428508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.428508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.428508 (E_RNA) where: Base-Base interactions energy: -35.770 where: short stacking energy: -17.534 Base-Backbone interact. energy: 0.166 local terms energy: -24.823817 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -110.484570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.484570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.484570 (E_RNA) where: Base-Base interactions energy: -74.308 where: short stacking energy: -38.139 Base-Backbone interact. energy: -1.111 local terms energy: -35.065086 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.721 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -6.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -105.643013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.643013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.643013 (E_RNA) where: Base-Base interactions energy: -78.978 where: short stacking energy: -33.494 Base-Backbone interact. energy: -0.644 local terms energy: -26.021668 where: bonds (distance) C4'-P energy: -3.767 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -104.348335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.348335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.348335 (E_RNA) where: Base-Base interactions energy: -67.244 where: short stacking energy: -31.467 Base-Backbone interact. energy: -0.510 local terms energy: -36.594856 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -5.258 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: 4, replica: 6 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -110.543709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.543709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.543709 (E_RNA) where: Base-Base interactions energy: -71.721 where: short stacking energy: -36.588 Base-Backbone interact. energy: 0.174 local terms energy: -38.996562 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -6.363 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: 5, replica: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -104.047877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.047877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.047877 (E_RNA) where: Base-Base interactions energy: -71.404 where: short stacking energy: -34.988 Base-Backbone interact. energy: -0.009 local terms energy: -32.635327 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -7.402 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: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -95.437057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.437057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.437057 (E_RNA) where: Base-Base interactions energy: -62.547 where: short stacking energy: -31.423 Base-Backbone interact. energy: -0.455 local terms energy: -32.435319 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.775 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -4.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -97.395113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.395113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.395113 (E_RNA) where: Base-Base interactions energy: -66.456 where: short stacking energy: -34.212 Base-Backbone interact. energy: -0.128 local terms energy: -30.811143 where: bonds (distance) C4'-P energy: -5.692 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -7.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -51.745334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.745334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.745334 (E_RNA) where: Base-Base interactions energy: -24.454 where: short stacking energy: -24.454 Base-Backbone interact. energy: -0.006 local terms energy: -27.285629 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -1.415 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -60.056438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.056438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.056438 (E_RNA) where: Base-Base interactions energy: -29.120 where: short stacking energy: -24.077 Base-Backbone interact. energy: -0.012 local terms energy: -30.924198 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -49.433583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.433583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.433583 (E_RNA) where: Base-Base interactions energy: -25.657 where: short stacking energy: -14.559 Base-Backbone interact. energy: -0.026 local terms energy: -23.750380 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -5.066 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: 1, replica: 1 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -108.235067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.235067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.235067 (E_RNA) where: Base-Base interactions energy: -72.171 where: short stacking energy: -36.330 Base-Backbone interact. energy: -0.760 local terms energy: -35.303420 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -9.137 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -5.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -104.822104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.822104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.822104 (E_RNA) where: Base-Base interactions energy: -69.676 where: short stacking energy: -34.797 Base-Backbone interact. energy: -2.103 local terms energy: -33.042967 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -106.237914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.237914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.237914 (E_RNA) where: Base-Base interactions energy: -73.990 where: short stacking energy: -37.005 Base-Backbone interact. energy: -0.759 local terms energy: -31.488818 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -5.237 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -9.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -105.426920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.426920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.426920 (E_RNA) where: Base-Base interactions energy: -67.192 where: short stacking energy: -33.481 Base-Backbone interact. energy: -1.105 local terms energy: -37.129505 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -6.205 tors. eta vs tors. theta energy: -6.992 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: 10 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -103.069155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.069155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.069155 (E_RNA) where: Base-Base interactions energy: -70.539 where: short stacking energy: -35.953 Base-Backbone interact. energy: -0.018 local terms energy: -32.512167 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -4.294 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: 6, replica: 8 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -102.073868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.073868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.073868 (E_RNA) where: Base-Base interactions energy: -67.697 where: short stacking energy: -32.089 Base-Backbone interact. energy: -0.192 local terms energy: -34.184549 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -8.535 flat angles P-C4'-P energy: -4.728 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: 7, replica: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -92.164682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.164682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.164682 (E_RNA) where: Base-Base interactions energy: -59.465 where: short stacking energy: -29.556 Base-Backbone interact. energy: -1.029 local terms energy: -31.670633 where: bonds (distance) C4'-P energy: -7.803 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -6.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -54.417097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.417097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.417097 (E_RNA) where: Base-Base interactions energy: -31.545 where: short stacking energy: -28.125 Base-Backbone interact. energy: 0.159 local terms energy: -23.031142 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -1.658 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: 9, replica: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -53.422040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.422040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.422040 (E_RNA) where: Base-Base interactions energy: -25.495 where: short stacking energy: -23.468 Base-Backbone interact. energy: -0.011 local terms energy: -27.916216 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -2.095 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: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -53.325276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.325276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.325276 (E_RNA) where: Base-Base interactions energy: -22.701 where: short stacking energy: -22.701 Base-Backbone interact. energy: -0.087 local terms energy: -30.537926 where: bonds (distance) C4'-P energy: -3.916 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -4.913 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: 1 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -107.780064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.780064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.780064 (E_RNA) where: Base-Base interactions energy: -74.497 where: short stacking energy: -38.644 Base-Backbone interact. energy: -0.011 local terms energy: -33.272526 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -5.385 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: 2, replica: 4 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -108.693627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.693627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.693627 (E_RNA) where: Base-Base interactions energy: -68.487 where: short stacking energy: -35.849 Base-Backbone interact. energy: -1.958 local terms energy: -38.248223 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -8.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -104.220569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.220569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.220569 (E_RNA) where: Base-Base interactions energy: -69.622 where: short stacking energy: -36.100 Base-Backbone interact. energy: -0.026 local terms energy: -34.572702 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -6.947 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -7.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -104.375836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.375836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.375836 (E_RNA) where: Base-Base interactions energy: -67.893 where: short stacking energy: -33.538 Base-Backbone interact. energy: -1.254 local terms energy: -35.229344 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -8.063 flat angles P-C4'-P energy: -4.276 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: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -105.384664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.384664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.384664 (E_RNA) where: Base-Base interactions energy: -72.315 where: short stacking energy: -34.239 Base-Backbone interact. energy: -0.000 local terms energy: -33.069433 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -7.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -96.033810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.033810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.033810 (E_RNA) where: Base-Base interactions energy: -70.360 where: short stacking energy: -29.278 Base-Backbone interact. energy: -0.216 local terms energy: -25.458086 where: bonds (distance) C4'-P energy: -3.916 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -4.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -91.734043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.734043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.734043 (E_RNA) where: Base-Base interactions energy: -60.572 where: short stacking energy: -30.082 Base-Backbone interact. energy: -1.064 local terms energy: -30.097387 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -64.258540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.258540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.258540 (E_RNA) where: Base-Base interactions energy: -31.390 where: short stacking energy: -31.390 Base-Backbone interact. energy: -0.067 local terms energy: -32.801819 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -2.093 tors. eta vs tors. theta energy: -6.130 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: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -57.699735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.699735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.699735 (E_RNA) where: Base-Base interactions energy: -38.703 where: short stacking energy: -13.672 Base-Backbone interact. energy: -0.161 local terms energy: -18.835630 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: 3.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -52.076581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.076581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.076581 (E_RNA) where: Base-Base interactions energy: -25.346 where: short stacking energy: -25.346 Base-Backbone interact. energy: -0.098 local terms energy: -26.632084 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -109.759409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.759409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.759409 (E_RNA) where: Base-Base interactions energy: -79.369 where: short stacking energy: -33.458 Base-Backbone interact. energy: -0.247 local terms energy: -30.142841 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.656 flat angles P-C4'-P energy: -1.183 tors. eta vs tors. theta energy: -5.957 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: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -108.807040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.807040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.807040 (E_RNA) where: Base-Base interactions energy: -71.216 where: short stacking energy: -37.297 Base-Backbone interact. energy: -1.321 local terms energy: -36.269854 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -5.967 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: 3, replica: 10 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -110.271010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.271010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.271010 (E_RNA) where: Base-Base interactions energy: -69.500 where: short stacking energy: -34.320 Base-Backbone interact. energy: -1.806 local terms energy: -38.965534 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -8.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -95.076489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.076489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.076489 (E_RNA) where: Base-Base interactions energy: -61.086 where: short stacking energy: -30.661 Base-Backbone interact. energy: -0.000 local terms energy: -33.990068 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -7.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -105.188815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.188815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.188815 (E_RNA) where: Base-Base interactions energy: -68.876 where: short stacking energy: -33.808 Base-Backbone interact. energy: -0.484 local terms energy: -35.828715 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -8.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -99.424719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.424719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.424719 (E_RNA) where: Base-Base interactions energy: -67.333 where: short stacking energy: -34.218 Base-Backbone interact. energy: -1.116 local terms energy: -30.975610 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -7.785 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: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -101.894901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.894901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.894901 (E_RNA) where: Base-Base interactions energy: -66.996 where: short stacking energy: -35.117 Base-Backbone interact. energy: -0.658 local terms energy: -34.240964 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -8.452 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: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -58.985462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.985462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.985462 (E_RNA) where: Base-Base interactions energy: -35.099 where: short stacking energy: -22.134 Base-Backbone interact. energy: -0.026 local terms energy: -23.860926 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -3.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -59.976318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.976318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.976318 (E_RNA) where: Base-Base interactions energy: -31.120 where: short stacking energy: -27.239 Base-Backbone interact. energy: -0.104 local terms energy: -28.751621 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -5.294 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: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -64.120310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.120310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.120310 (E_RNA) where: Base-Base interactions energy: -29.312 where: short stacking energy: -29.312 Base-Backbone interact. energy: -0.038 local terms energy: -34.770268 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -6.274 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: 43 Temperature: 0.900000 Total energy: -112.131410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.131410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.131410 (E_RNA) where: Base-Base interactions energy: -73.193 where: short stacking energy: -35.995 Base-Backbone interact. energy: -0.137 local terms energy: -38.801738 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -7.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -109.597485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.597485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.597485 (E_RNA) where: Base-Base interactions energy: -71.756 where: short stacking energy: -34.653 Base-Backbone interact. energy: -0.016 local terms energy: -37.825198 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -9.011 flat angles P-C4'-P energy: -5.438 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: 4 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -110.362379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.362379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.362379 (E_RNA) where: Base-Base interactions energy: -69.493 where: short stacking energy: -34.603 Base-Backbone interact. energy: -1.133 local terms energy: -39.736213 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -7.100 tors. eta vs tors. theta energy: -8.485 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: 6 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -104.397562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.397562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.397562 (E_RNA) where: Base-Base interactions energy: -71.150 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.002 local terms energy: -33.245919 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -7.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -101.853208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.853208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.853208 (E_RNA) where: Base-Base interactions energy: -67.848 where: short stacking energy: -33.458 Base-Backbone interact. energy: -0.199 local terms energy: -33.806798 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -2.984 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: 6, replica: 2 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -86.815047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.815047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.815047 (E_RNA) where: Base-Base interactions energy: -57.434 where: short stacking energy: -25.332 Base-Backbone interact. energy: -0.715 local terms energy: -28.666208 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -0.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -89.176828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.176828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.176828 (E_RNA) where: Base-Base interactions energy: -60.217 where: short stacking energy: -29.633 Base-Backbone interact. energy: -1.240 local terms energy: -27.719866 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -2.556 flat angles P-C4'-P energy: -6.661 tors. eta vs tors. theta energy: -2.655 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: 43 Temperature: 1.250000 Total energy: -52.718998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.718998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.718998 (E_RNA) where: Base-Base interactions energy: -24.399 where: short stacking energy: -24.399 Base-Backbone interact. energy: -0.005 local terms energy: -28.314687 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -4.391 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -4.613 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: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -54.970455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.970455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.970455 (E_RNA) where: Base-Base interactions energy: -27.718 where: short stacking energy: -24.487 Base-Backbone interact. energy: -0.019 local terms energy: -27.233086 where: bonds (distance) C4'-P energy: -3.150 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -5.029 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: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -66.228280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.228280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.228280 (E_RNA) where: Base-Base interactions energy: -44.484 where: short stacking energy: -27.851 Base-Backbone interact. energy: -0.020 local terms energy: -21.724478 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -3.085 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -110.181767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.181767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.181767 (E_RNA) where: Base-Base interactions energy: -74.171 where: short stacking energy: -37.016 Base-Backbone interact. energy: -0.686 local terms energy: -35.324530 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.669 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -7.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -109.252106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.252106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.252106 (E_RNA) where: Base-Base interactions energy: -70.941 where: short stacking energy: -37.006 Base-Backbone interact. energy: -1.144 local terms energy: -37.167310 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -7.519 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -107.332407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.332407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.332407 (E_RNA) where: Base-Base interactions energy: -72.029 where: short stacking energy: -35.218 Base-Backbone interact. energy: -0.794 local terms energy: -34.509846 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -7.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -103.883745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.883745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.883745 (E_RNA) where: Base-Base interactions energy: -69.767 where: short stacking energy: -35.733 Base-Backbone interact. energy: 1.404 local terms energy: -35.520679 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -7.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -99.992468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.992468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.992468 (E_RNA) where: Base-Base interactions energy: -66.565 where: short stacking energy: -31.487 Base-Backbone interact. energy: -1.480 local terms energy: -31.948007 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -6.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -100.018112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.018112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.018112 (E_RNA) where: Base-Base interactions energy: -64.303 where: short stacking energy: -32.137 Base-Backbone interact. energy: -0.005 local terms energy: -35.710406 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: -7.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -91.381236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.381236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.381236 (E_RNA) where: Base-Base interactions energy: -60.519 where: short stacking energy: -25.303 Base-Backbone interact. energy: -0.001 local terms energy: -30.860490 where: bonds (distance) C4'-P energy: -6.731 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -9.463 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -4.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -64.698113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.698113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.698113 (E_RNA) where: Base-Base interactions energy: -27.805 where: short stacking energy: -27.805 Base-Backbone interact. energy: -0.272 local terms energy: -36.620393 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -7.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -51.320408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.320408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.320408 (E_RNA) where: Base-Base interactions energy: -21.421 where: short stacking energy: -18.743 Base-Backbone interact. energy: -0.019 local terms energy: -29.880088 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -1.483 tors. eta vs tors. theta energy: -4.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -65.846667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.846667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.846667 (E_RNA) where: Base-Base interactions energy: -33.973 where: short stacking energy: -33.973 Base-Backbone interact. energy: 2.969 local terms energy: -34.842905 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -8.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -99.527709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.527709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.527709 (E_RNA) where: Base-Base interactions energy: -64.481 where: short stacking energy: -26.201 Base-Backbone interact. energy: -0.280 local terms energy: -34.766850 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -110.329559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.329559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.329559 (E_RNA) where: Base-Base interactions energy: -71.331 where: short stacking energy: -35.265 Base-Backbone interact. energy: -1.894 local terms energy: -37.104921 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -6.561 tors. eta vs tors. theta energy: -7.164 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: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -109.544946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.544946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.544946 (E_RNA) where: Base-Base interactions energy: -70.662 where: short stacking energy: -34.932 Base-Backbone interact. energy: -0.496 local terms energy: -38.387062 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.944 flat angles P-C4'-P energy: -7.172 tors. eta vs tors. theta energy: -6.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -97.182578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.182578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.182578 (E_RNA) where: Base-Base interactions energy: -62.530 where: short stacking energy: -31.262 Base-Backbone interact. energy: -0.899 local terms energy: -33.753810 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -8.476 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -5.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -95.346892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.346892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.346892 (E_RNA) where: Base-Base interactions energy: -56.765 where: short stacking energy: -29.406 Base-Backbone interact. energy: -0.481 local terms energy: -38.101437 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -6.451 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: 6, replica: 8 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -105.828672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.828672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.828672 (E_RNA) where: Base-Base interactions energy: -65.953 where: short stacking energy: -36.395 Base-Backbone interact. energy: -0.771 local terms energy: -39.105006 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.837 tors. eta vs tors. theta energy: -7.695 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: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -94.434871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.434871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.434871 (E_RNA) where: Base-Base interactions energy: -63.933 where: short stacking energy: -29.759 Base-Backbone interact. energy: -0.269 local terms energy: -30.232698 where: bonds (distance) C4'-P energy: -5.312 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -4.956 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -56.033608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.033608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.033608 (E_RNA) where: Base-Base interactions energy: -26.596 where: short stacking energy: -21.495 Base-Backbone interact. energy: -0.034 local terms energy: -29.403397 where: bonds (distance) C4'-P energy: -4.099 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -4.203 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: 9, replica: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -58.101268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.101268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.101268 (E_RNA) where: Base-Base interactions energy: -26.992 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.492 local terms energy: -30.618026 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -53.647350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.647350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.647350 (E_RNA) where: Base-Base interactions energy: -21.832 where: short stacking energy: -21.832 Base-Backbone interact. energy: -0.111 local terms energy: -31.703664 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -111.380420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.380420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.380420 (E_RNA) where: Base-Base interactions energy: -72.877 where: short stacking energy: -36.374 Base-Backbone interact. energy: -0.709 local terms energy: -37.794878 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -7.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -106.154793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.154793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.154793 (E_RNA) where: Base-Base interactions energy: -69.274 where: short stacking energy: -30.548 Base-Backbone interact. energy: -0.000 local terms energy: -36.880535 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -6.182 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -7.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -104.546273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.546273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.546273 (E_RNA) where: Base-Base interactions energy: -66.035 where: short stacking energy: -33.640 Base-Backbone interact. energy: -0.591 local terms energy: -37.919421 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -5.796 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: 1 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -96.846716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.846716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.846716 (E_RNA) where: Base-Base interactions energy: -63.498 where: short stacking energy: -31.933 Base-Backbone interact. energy: -0.106 local terms energy: -33.242780 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -8.567 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -99.015623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.015623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.015623 (E_RNA) where: Base-Base interactions energy: -69.585 where: short stacking energy: -34.199 Base-Backbone interact. energy: -0.269 local terms energy: -29.160934 where: bonds (distance) C4'-P energy: -3.142 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -4.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -98.776137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.776137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.776137 (E_RNA) where: Base-Base interactions energy: -67.206 where: short stacking energy: -33.376 Base-Backbone interact. energy: -0.086 local terms energy: -31.484714 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -99.934977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.934977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.934977 (E_RNA) where: Base-Base interactions energy: -65.073 where: short stacking energy: -30.240 Base-Backbone interact. energy: -0.455 local terms energy: -34.406512 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -55.296455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.296455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.296455 (E_RNA) where: Base-Base interactions energy: -24.680 where: short stacking energy: -23.796 Base-Backbone interact. energy: -0.040 local terms energy: -30.576679 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -48.161066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.161066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.161066 (E_RNA) where: Base-Base interactions energy: -24.492 where: short stacking energy: -20.071 Base-Backbone interact. energy: -0.112 local terms energy: -23.557180 where: bonds (distance) C4'-P energy: -4.579 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -6.391 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: 10, replica: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -43.595776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.595776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.595776 (E_RNA) where: Base-Base interactions energy: -21.437 where: short stacking energy: -10.825 Base-Backbone interact. energy: -0.000 local terms energy: -22.158452 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -2.760 flat angles P-C4'-P energy: -2.458 tors. eta vs tors. theta energy: -1.551 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: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -109.770314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.770314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.770314 (E_RNA) where: Base-Base interactions energy: -68.521 where: short stacking energy: -31.055 Base-Backbone interact. energy: -1.257 local terms energy: -39.991781 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -6.886 tors. eta vs tors. theta energy: -8.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -110.032375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.032375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.032375 (E_RNA) where: Base-Base interactions energy: -71.680 where: short stacking energy: -37.193 Base-Backbone interact. energy: -0.025 local terms energy: -38.327207 where: bonds (distance) C4'-P energy: -7.273 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -8.962 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -6.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -103.904391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.904391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.904391 (E_RNA) where: Base-Base interactions energy: -65.849 where: short stacking energy: -33.135 Base-Backbone interact. energy: -0.316 local terms energy: -37.738716 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -7.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -92.538122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.538122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.538122 (E_RNA) where: Base-Base interactions energy: -60.549 where: short stacking energy: -30.793 Base-Backbone interact. energy: -0.028 local terms energy: -31.961344 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -6.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -99.775895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.775895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.775895 (E_RNA) where: Base-Base interactions energy: -69.064 where: short stacking energy: -36.675 Base-Backbone interact. energy: -0.746 local terms energy: -29.965408 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -5.893 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -5.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -103.646082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.646082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.646082 (E_RNA) where: Base-Base interactions energy: -70.308 where: short stacking energy: -33.470 Base-Backbone interact. energy: -0.005 local terms energy: -33.332834 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -5.069 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -3.938 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: 47 Temperature: 1.200000 Total energy: -99.508540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.508540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.508540 (E_RNA) where: Base-Base interactions energy: -69.311 where: short stacking energy: -34.457 Base-Backbone interact. energy: -0.071 local terms energy: -30.126438 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -3.922 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: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -51.444829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.444829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.444829 (E_RNA) where: Base-Base interactions energy: -23.273 where: short stacking energy: -23.273 Base-Backbone interact. energy: -0.000 local terms energy: -28.171758 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -6.862 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -5.926 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: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -59.471422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.471422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.471422 (E_RNA) where: Base-Base interactions energy: -28.846 where: short stacking energy: -28.846 Base-Backbone interact. energy: -0.003 local terms energy: -30.622665 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -5.285 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: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -50.521831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.521831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.521831 (E_RNA) where: Base-Base interactions energy: -22.724 where: short stacking energy: -18.288 Base-Backbone interact. energy: -0.004 local terms energy: -27.793800 where: bonds (distance) C4'-P energy: -5.562 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -2.509 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: 1, replica: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -107.377488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.377488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.377488 (E_RNA) where: Base-Base interactions energy: -70.536 where: short stacking energy: -34.716 Base-Backbone interact. energy: -0.331 local terms energy: -36.510582 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -6.980 tors. eta vs tors. theta energy: -5.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -110.670132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.670132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.670132 (E_RNA) where: Base-Base interactions energy: -71.420 where: short stacking energy: -34.577 Base-Backbone interact. energy: -2.099 local terms energy: -37.151449 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -8.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -107.257928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.257928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.257928 (E_RNA) where: Base-Base interactions energy: -70.964 where: short stacking energy: -37.584 Base-Backbone interact. energy: -0.483 local terms energy: -35.811022 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -6.740 tors. eta vs tors. theta energy: -6.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -102.686597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.686597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.686597 (E_RNA) where: Base-Base interactions energy: -66.953 where: short stacking energy: -34.639 Base-Backbone interact. energy: -0.005 local terms energy: -35.729251 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -7.376 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: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -101.368067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.368067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.368067 (E_RNA) where: Base-Base interactions energy: -69.231 where: short stacking energy: -32.565 Base-Backbone interact. energy: -0.069 local terms energy: -32.068674 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -2.996 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: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -101.876290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.876290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.876290 (E_RNA) where: Base-Base interactions energy: -68.369 where: short stacking energy: -31.179 Base-Backbone interact. energy: -1.183 local terms energy: -32.324073 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -4.928 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: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -95.915443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.915443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.915443 (E_RNA) where: Base-Base interactions energy: -64.435 where: short stacking energy: -24.550 Base-Backbone interact. energy: -0.093 local terms energy: -31.387416 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -6.744 flat angles C4'-P-C4' energy: -8.981 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -3.544 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: 8, replica: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -56.070001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.070001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.070001 (E_RNA) where: Base-Base interactions energy: -26.276 where: short stacking energy: -26.276 Base-Backbone interact. energy: -0.000 local terms energy: -29.794361 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -4.694 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: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -60.745602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.745602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.745602 (E_RNA) where: Base-Base interactions energy: -29.647 where: short stacking energy: -29.647 Base-Backbone interact. energy: -0.126 local terms energy: -30.972896 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -2.843 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: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -58.230937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.230937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.230937 (E_RNA) where: Base-Base interactions energy: -35.089 where: short stacking energy: -17.721 Base-Backbone interact. energy: -0.024 local terms energy: -23.118802 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -6.583 flat angles C4'-P-C4' energy: -3.717 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -112.041220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.041220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.041220 (E_RNA) where: Base-Base interactions energy: -72.706 where: short stacking energy: -35.789 Base-Backbone interact. energy: -0.514 local terms energy: -38.821439 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -6.877 tors. eta vs tors. theta energy: -8.547 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: 49 Temperature: 0.950000 Total energy: -111.293099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.293099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.293099 (E_RNA) where: Base-Base interactions energy: -71.682 where: short stacking energy: -34.017 Base-Backbone interact. energy: -1.334 local terms energy: -38.276869 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -7.974 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: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -112.868880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.868880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.868880 (E_RNA) where: Base-Base interactions energy: -82.084 where: short stacking energy: -33.366 Base-Backbone interact. energy: -0.064 local terms energy: -30.721238 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -2.410 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: 4, replica: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -104.190790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.190790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.190790 (E_RNA) where: Base-Base interactions energy: -73.677 where: short stacking energy: -31.818 Base-Backbone interact. energy: -0.098 local terms energy: -30.415170 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -9.828 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -1.086 tors. eta vs tors. theta energy: -7.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -99.965412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.965412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.965412 (E_RNA) where: Base-Base interactions energy: -68.617 where: short stacking energy: -35.603 Base-Backbone interact. energy: -0.010 local terms energy: -31.338063 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -4.722 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -7.616 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: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -98.324776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.324776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.324776 (E_RNA) where: Base-Base interactions energy: -64.129 where: short stacking energy: -32.445 Base-Backbone interact. energy: -1.056 local terms energy: -33.139271 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -5.078 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: 6 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -94.373116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.373116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.373116 (E_RNA) where: Base-Base interactions energy: -66.324 where: short stacking energy: -30.313 Base-Backbone interact. energy: -0.032 local terms energy: -28.017000 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -59.005557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.005557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.005557 (E_RNA) where: Base-Base interactions energy: -25.264 where: short stacking energy: -25.264 Base-Backbone interact. energy: -0.000 local terms energy: -33.741113 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.133 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -49.279831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.279831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.279831 (E_RNA) where: Base-Base interactions energy: -27.314 where: short stacking energy: -25.755 Base-Backbone interact. energy: -0.065 local terms energy: -21.901232 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -1.565 flat angles P-C4'-P energy: -1.624 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -66.115290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.115290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.115290 (E_RNA) where: Base-Base interactions energy: -30.048 where: short stacking energy: -30.048 Base-Backbone interact. energy: -0.000 local terms energy: -36.067379 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -7.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -112.631766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.631766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.631766 (E_RNA) where: Base-Base interactions energy: -74.634 where: short stacking energy: -37.499 Base-Backbone interact. energy: -2.047 local terms energy: -35.951236 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -6.840 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: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -107.986213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.986213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.986213 (E_RNA) where: Base-Base interactions energy: -70.247 where: short stacking energy: -34.378 Base-Backbone interact. energy: -0.421 local terms energy: -37.317857 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -7.408 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: 10 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -106.064265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.064265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.064265 (E_RNA) where: Base-Base interactions energy: -69.675 where: short stacking energy: -33.826 Base-Backbone interact. energy: -1.437 local terms energy: -34.952579 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -7.379 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: 4 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -115.853585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.853585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.853585 (E_RNA) where: Base-Base interactions energy: -79.318 where: short stacking energy: -32.535 Base-Backbone interact. energy: -0.099 local terms energy: -36.436842 where: bonds (distance) C4'-P energy: -8.126 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -98.878493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.878493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.878493 (E_RNA) where: Base-Base interactions energy: -66.813 where: short stacking energy: -36.127 Base-Backbone interact. energy: -0.809 local terms energy: -31.256983 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -2.955 flat angles C4'-P-C4' energy: -7.149 flat angles P-C4'-P energy: -6.409 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: 6, replica: 8 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -102.501301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.501301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.501301 (E_RNA) where: Base-Base interactions energy: -67.939 where: short stacking energy: -31.105 Base-Backbone interact. energy: -0.372 local terms energy: -34.189891 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -5.620 tors. eta vs tors. theta energy: -7.122 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: 7, replica: 6 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -89.360899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.360899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.360899 (E_RNA) where: Base-Base interactions energy: -60.462 where: short stacking energy: -28.229 Base-Backbone interact. energy: -0.002 local terms energy: -28.896547 where: bonds (distance) C4'-P energy: -6.266 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -0.879 tors. eta vs tors. theta energy: -5.508 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: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -57.747825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.747825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.747825 (E_RNA) where: Base-Base interactions energy: -22.669 where: short stacking energy: -22.669 Base-Backbone interact. energy: -0.002 local terms energy: -35.077499 where: bonds (distance) C4'-P energy: -6.256 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -59.267627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.267627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.267627 (E_RNA) where: Base-Base interactions energy: -29.208 where: short stacking energy: -23.422 Base-Backbone interact. energy: -0.041 local terms energy: -30.019138 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -45.663592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.663592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.663592 (E_RNA) where: Base-Base interactions energy: -21.486 where: short stacking energy: -17.325 Base-Backbone interact. energy: -0.081 local terms energy: -24.096421 where: bonds (distance) C4'-P energy: -4.772 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -3.823 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: 51 Temperature: 0.900000 Total energy: -110.825227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.825227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.825227 (E_RNA) where: Base-Base interactions energy: -72.691 where: short stacking energy: -35.022 Base-Backbone interact. energy: -1.383 local terms energy: -36.750887 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -8.162 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: 51 Temperature: 0.950000 Total energy: -106.538670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.538670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.538670 (E_RNA) where: Base-Base interactions energy: -65.777 where: short stacking energy: -32.391 Base-Backbone interact. energy: -1.588 local terms energy: -39.173635 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.928 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -8.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -110.376371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.376371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.376371 (E_RNA) where: Base-Base interactions energy: -73.560 where: short stacking energy: -36.101 Base-Backbone interact. energy: -0.699 local terms energy: -36.117538 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -7.177 tors. eta vs tors. theta energy: -7.533 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: 4 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -106.897751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.897751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.897751 (E_RNA) where: Base-Base interactions energy: -77.432 where: short stacking energy: -28.635 Base-Backbone interact. energy: -0.728 local terms energy: -28.737453 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -2.989 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: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -99.958953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.958953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.958953 (E_RNA) where: Base-Base interactions energy: -67.108 where: short stacking energy: -33.274 Base-Backbone interact. energy: -0.718 local terms energy: -32.132128 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -8.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -100.540399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.540399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.540399 (E_RNA) where: Base-Base interactions energy: -73.020 where: short stacking energy: -30.119 Base-Backbone interact. energy: -0.006 local terms energy: -27.514171 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: 0.255 tors. eta vs tors. theta energy: -6.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -88.667008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.667008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.667008 (E_RNA) where: Base-Base interactions energy: -60.280 where: short stacking energy: -29.570 Base-Backbone interact. energy: -0.028 local terms energy: -28.358460 where: bonds (distance) C4'-P energy: -7.033 bonds (distance) P-C4' energy: -6.613 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: -4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -54.826134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.826134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.826134 (E_RNA) where: Base-Base interactions energy: -23.323 where: short stacking energy: -21.633 Base-Backbone interact. energy: -0.103 local terms energy: -31.400757 where: bonds (distance) C4'-P energy: -3.946 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.995 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -4.150 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: 9, replica: 5 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -53.613369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.613369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.613369 (E_RNA) where: Base-Base interactions energy: -26.156 where: short stacking energy: -21.632 Base-Backbone interact. energy: -0.238 local terms energy: -27.219158 where: bonds (distance) C4'-P energy: -3.565 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -5.030 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: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -63.624296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.624296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.624296 (E_RNA) where: Base-Base interactions energy: -31.398 where: short stacking energy: -25.777 Base-Backbone interact. energy: -0.149 local terms energy: -32.077405 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -6.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -112.245751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.245751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.245751 (E_RNA) where: Base-Base interactions energy: -73.838 where: short stacking energy: -36.452 Base-Backbone interact. energy: -1.100 local terms energy: -37.307945 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -6.708 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: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -108.903220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.903220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.903220 (E_RNA) where: Base-Base interactions energy: -71.709 where: short stacking energy: -34.907 Base-Backbone interact. energy: -1.982 local terms energy: -35.212141 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: -6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -103.212890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.212890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.212890 (E_RNA) where: Base-Base interactions energy: -72.207 where: short stacking energy: -29.986 Base-Backbone interact. energy: -0.095 local terms energy: -30.910570 where: bonds (distance) C4'-P energy: -4.061 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -6.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -105.826160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.826160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.826160 (E_RNA) where: Base-Base interactions energy: -71.218 where: short stacking energy: -36.718 Base-Backbone interact. energy: -0.757 local terms energy: -33.851552 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -7.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -105.082362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.082362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.082362 (E_RNA) where: Base-Base interactions energy: -64.463 where: short stacking energy: -33.039 Base-Backbone interact. energy: -1.934 local terms energy: -38.685970 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -6.836 tors. eta vs tors. theta energy: -8.316 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: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -94.520992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.520992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.520992 (E_RNA) where: Base-Base interactions energy: -69.712 where: short stacking energy: -36.335 Base-Backbone interact. energy: -0.405 local terms energy: -24.404113 where: bonds (distance) C4'-P energy: -3.735 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -0.411 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -100.456592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.456592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.456592 (E_RNA) where: Base-Base interactions energy: -73.323 where: short stacking energy: -34.862 Base-Backbone interact. energy: 0.870 local terms energy: -28.003089 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -1.771 tors. eta vs tors. theta energy: -8.366 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: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -48.373428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.373428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.373428 (E_RNA) where: Base-Base interactions energy: -18.271 where: short stacking energy: -18.271 Base-Backbone interact. energy: -0.025 local terms energy: -30.078072 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.553 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -1.568 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: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -69.104243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.104243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.104243 (E_RNA) where: Base-Base interactions energy: -42.562 where: short stacking energy: -19.517 Base-Backbone interact. energy: -0.002 local terms energy: -26.539517 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: 0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -43.835390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.835390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.835390 (E_RNA) where: Base-Base interactions energy: -18.192 where: short stacking energy: -18.192 Base-Backbone interact. energy: -0.001 local terms energy: -25.643026 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -1.430 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: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -110.137782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.137782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.137782 (E_RNA) where: Base-Base interactions energy: -71.987 where: short stacking energy: -35.452 Base-Backbone interact. energy: -1.250 local terms energy: -36.901177 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -112.577621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.577621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.577621 (E_RNA) where: Base-Base interactions energy: -81.359 where: short stacking energy: -39.335 Base-Backbone interact. energy: -0.018 local terms energy: -31.200869 where: bonds (distance) C4'-P energy: -6.581 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -7.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -109.298592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.298592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.298592 (E_RNA) where: Base-Base interactions energy: -73.376 where: short stacking energy: -35.442 Base-Backbone interact. energy: -1.344 local terms energy: -34.579003 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -2.450 tors. eta vs tors. theta energy: -7.281 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: 2 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -103.242336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.242336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.242336 (E_RNA) where: Base-Base interactions energy: -63.404 where: short stacking energy: -31.784 Base-Backbone interact. energy: -0.692 local terms energy: -39.146496 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.560 flat angles P-C4'-P energy: -7.184 tors. eta vs tors. theta energy: -5.205 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: 1 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -90.111575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.111575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.111575 (E_RNA) where: Base-Base interactions energy: -61.213 where: short stacking energy: -31.233 Base-Backbone interact. energy: -1.262 local terms energy: -27.636737 where: bonds (distance) C4'-P energy: -4.757 bonds (distance) P-C4' energy: -7.244 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -3.501 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: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -97.701611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.701611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.701611 (E_RNA) where: Base-Base interactions energy: -65.743 where: short stacking energy: -30.137 Base-Backbone interact. energy: -0.984 local terms energy: -30.974541 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -5.159 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -100.797702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.797702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.797702 (E_RNA) where: Base-Base interactions energy: -64.047 where: short stacking energy: -31.914 Base-Backbone interact. energy: -0.033 local terms energy: -36.717674 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -5.504 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: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -67.065537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.065537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.065537 (E_RNA) where: Base-Base interactions energy: -34.050 where: short stacking energy: -34.050 Base-Backbone interact. energy: -0.000 local terms energy: -33.015395 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -5.218 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -6.251 tors. eta vs tors. theta energy: -9.873 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: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -53.457413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.457413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.457413 (E_RNA) where: Base-Base interactions energy: -21.606 where: short stacking energy: -18.912 Base-Backbone interact. energy: -0.067 local terms energy: -31.784094 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -45.306972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.306972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.306972 (E_RNA) where: Base-Base interactions energy: -23.618 where: short stacking energy: -16.747 Base-Backbone interact. energy: -0.132 local terms energy: -21.556632 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -4.433 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -110.474490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.474490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.474490 (E_RNA) where: Base-Base interactions energy: -79.051 where: short stacking energy: -31.975 Base-Backbone interact. energy: -0.006 local terms energy: -31.417480 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -1.657 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: 2, replica: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -109.218433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.218433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.218433 (E_RNA) where: Base-Base interactions energy: -70.713 where: short stacking energy: -35.244 Base-Backbone interact. energy: 0.370 local terms energy: -38.875620 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -7.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -106.218523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.218523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.218523 (E_RNA) where: Base-Base interactions energy: -71.122 where: short stacking energy: -35.783 Base-Backbone interact. energy: -0.739 local terms energy: -34.357127 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -4.109 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: 4, replica: 10 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -101.385805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.385805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.385805 (E_RNA) where: Base-Base interactions energy: -65.403 where: short stacking energy: -34.568 Base-Backbone interact. energy: -0.305 local terms energy: -35.677844 where: bonds (distance) C4'-P energy: -5.638 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -6.412 tors. eta vs tors. theta energy: -7.433 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: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -100.908346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.908346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.908346 (E_RNA) where: Base-Base interactions energy: -67.144 where: short stacking energy: -36.342 Base-Backbone interact. energy: -0.309 local terms energy: -33.455853 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -7.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -102.188840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.188840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.188840 (E_RNA) where: Base-Base interactions energy: -69.279 where: short stacking energy: -36.545 Base-Backbone interact. energy: -0.031 local terms energy: -32.878604 where: bonds (distance) C4'-P energy: -4.830 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: -5.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -62.829592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.829592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.829592 (E_RNA) where: Base-Base interactions energy: -31.981 where: short stacking energy: -27.766 Base-Backbone interact. energy: -0.003 local terms energy: -30.846129 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -5.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -90.455491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.455491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.455491 (E_RNA) where: Base-Base interactions energy: -64.623 where: short stacking energy: -26.159 Base-Backbone interact. energy: -0.076 local terms energy: -25.757108 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -48.860340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.860340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.860340 (E_RNA) where: Base-Base interactions energy: -30.536 where: short stacking energy: -15.632 Base-Backbone interact. energy: -0.785 local terms energy: -17.539427 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: 1.377 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: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -48.758743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.758743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.758743 (E_RNA) where: Base-Base interactions energy: -20.466 where: short stacking energy: -21.066 Base-Backbone interact. energy: -0.014 local terms energy: -28.278526 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -110.134685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.134685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.134685 (E_RNA) where: Base-Base interactions energy: -74.315 where: short stacking energy: -37.802 Base-Backbone interact. energy: -1.291 local terms energy: -34.529310 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.201 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -6.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -108.371929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.371929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.371929 (E_RNA) where: Base-Base interactions energy: -71.429 where: short stacking energy: -34.897 Base-Backbone interact. energy: -1.154 local terms energy: -35.788312 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.508 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -5.167 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: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -104.772583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.772583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.772583 (E_RNA) where: Base-Base interactions energy: -69.771 where: short stacking energy: -35.126 Base-Backbone interact. energy: -0.002 local terms energy: -34.999369 where: bonds (distance) C4'-P energy: -5.262 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -6.340 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: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -104.795615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.795615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.795615 (E_RNA) where: Base-Base interactions energy: -72.332 where: short stacking energy: -36.074 Base-Backbone interact. energy: -0.027 local terms energy: -32.436509 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.011 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -5.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -102.003692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.003692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.003692 (E_RNA) where: Base-Base interactions energy: -67.959 where: short stacking energy: -28.998 Base-Backbone interact. energy: -0.001 local terms energy: -34.044468 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -5.354 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: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -96.822116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.822116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.822116 (E_RNA) where: Base-Base interactions energy: -60.967 where: short stacking energy: -31.848 Base-Backbone interact. energy: -1.195 local terms energy: -34.659937 where: bonds (distance) C4'-P energy: -4.204 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -7.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -64.786954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.786954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.786954 (E_RNA) where: Base-Base interactions energy: -32.640 where: short stacking energy: -32.640 Base-Backbone interact. energy: -0.000 local terms energy: -32.147285 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -9.159 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -51.266004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.266004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.266004 (E_RNA) where: Base-Base interactions energy: -23.660 where: short stacking energy: -23.660 Base-Backbone interact. energy: -0.157 local terms energy: -27.449303 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -8.687 flat angles P-C4'-P energy: -3.827 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: 6 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -87.706738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.706738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.706738 (E_RNA) where: Base-Base interactions energy: -54.548 where: short stacking energy: -20.816 Base-Backbone interact. energy: -0.108 local terms energy: -33.051097 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -5.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -58.820408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.820408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.820408 (E_RNA) where: Base-Base interactions energy: -27.057 where: short stacking energy: -27.057 Base-Backbone interact. energy: -0.001 local terms energy: -31.761835 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -8.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -112.162483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.162483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.162483 (E_RNA) where: Base-Base interactions energy: -73.410 where: short stacking energy: -36.617 Base-Backbone interact. energy: -0.496 local terms energy: -38.256181 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.581 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -6.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -112.206367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.206367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.206367 (E_RNA) where: Base-Base interactions energy: -73.834 where: short stacking energy: -38.012 Base-Backbone interact. energy: -1.790 local terms energy: -36.582921 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -7.974 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: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -104.818098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.818098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.818098 (E_RNA) where: Base-Base interactions energy: -68.595 where: short stacking energy: -36.170 Base-Backbone interact. energy: 0.472 local terms energy: -36.695035 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.776 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -5.643 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: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -103.778649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.778649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.778649 (E_RNA) where: Base-Base interactions energy: -69.061 where: short stacking energy: -32.891 Base-Backbone interact. energy: -0.550 local terms energy: -34.167661 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.311 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -5.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -105.502425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.502425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.502425 (E_RNA) where: Base-Base interactions energy: -67.435 where: short stacking energy: -29.751 Base-Backbone interact. energy: -1.501 local terms energy: -36.565806 where: bonds (distance) C4'-P energy: -7.149 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -8.718 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -7.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -99.278862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.278862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.278862 (E_RNA) where: Base-Base interactions energy: -67.852 where: short stacking energy: -34.637 Base-Backbone interact. energy: -0.010 local terms energy: -31.416949 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -53.866055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.866055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.866055 (E_RNA) where: Base-Base interactions energy: -25.191 where: short stacking energy: -22.075 Base-Backbone interact. energy: -0.197 local terms energy: -28.478443 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -52.531031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.531031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.531031 (E_RNA) where: Base-Base interactions energy: -28.759 where: short stacking energy: -28.759 Base-Backbone interact. energy: -0.100 local terms energy: -23.672192 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -6.439 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -1.338 tors. eta vs tors. theta energy: -5.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -57.541519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.541519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.541519 (E_RNA) where: Base-Base interactions energy: -27.719 where: short stacking energy: -27.719 Base-Backbone interact. energy: -0.059 local terms energy: -29.763444 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -45.754280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.754280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.754280 (E_RNA) where: Base-Base interactions energy: -17.458 where: short stacking energy: -10.806 Base-Backbone interact. energy: 0.494 local terms energy: -28.790671 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -1.095 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: 1, replica: 2 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -111.796022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.796022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.796022 (E_RNA) where: Base-Base interactions energy: -73.739 where: short stacking energy: -33.946 Base-Backbone interact. energy: -0.368 local terms energy: -37.689310 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -5.830 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: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -112.203557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.203557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.203557 (E_RNA) where: Base-Base interactions energy: -72.121 where: short stacking energy: -36.289 Base-Backbone interact. energy: -1.599 local terms energy: -38.482949 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.987 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -6.873 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: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -108.975504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.975504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.975504 (E_RNA) where: Base-Base interactions energy: -72.772 where: short stacking energy: -35.696 Base-Backbone interact. energy: -0.709 local terms energy: -35.494732 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -6.569 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: 57 Temperature: 1.050000 Total energy: -97.659236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.659236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.659236 (E_RNA) where: Base-Base interactions energy: -69.137 where: short stacking energy: -33.481 Base-Backbone interact. energy: -0.022 local terms energy: -28.500971 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -5.852 flat angles C4'-P-C4' energy: -8.562 flat angles P-C4'-P energy: -1.051 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: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -103.422166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.422166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.422166 (E_RNA) where: Base-Base interactions energy: -72.298 where: short stacking energy: -32.614 Base-Backbone interact. energy: -0.002 local terms energy: -31.122082 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -6.832 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: 6, replica: 10 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -87.446864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.446864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.446864 (E_RNA) where: Base-Base interactions energy: -56.670 where: short stacking energy: -31.584 Base-Backbone interact. energy: -0.083 local terms energy: -30.693960 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -58.534246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.534246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.534246 (E_RNA) where: Base-Base interactions energy: -25.651 where: short stacking energy: -25.651 Base-Backbone interact. energy: -0.071 local terms energy: -32.812542 where: bonds (distance) C4'-P energy: -6.723 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -8.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -56.803213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.803213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.803213 (E_RNA) where: Base-Base interactions energy: -28.694 where: short stacking energy: -28.694 Base-Backbone interact. energy: 1.028 local terms energy: -29.137243 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -5.345 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: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -48.084794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.084794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.084794 (E_RNA) where: Base-Base interactions energy: -18.558 where: short stacking energy: -18.558 Base-Backbone interact. energy: -0.124 local terms energy: -29.402491 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -5.910 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: 6 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -49.046573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.046573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.046573 (E_RNA) where: Base-Base interactions energy: -25.800 where: short stacking energy: -20.418 Base-Backbone interact. energy: -0.012 local terms energy: -23.233960 where: bonds (distance) C4'-P energy: -3.651 bonds (distance) P-C4' energy: -7.077 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -1.488 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: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -110.350890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.350890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.350890 (E_RNA) where: Base-Base interactions energy: -70.798 where: short stacking energy: -30.547 Base-Backbone interact. energy: -1.802 local terms energy: -37.751820 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -6.476 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: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -107.274415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.274415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.274415 (E_RNA) where: Base-Base interactions energy: -68.315 where: short stacking energy: -35.875 Base-Backbone interact. energy: -1.629 local terms energy: -37.330735 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -9.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -109.583403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.583403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.583403 (E_RNA) where: Base-Base interactions energy: -68.846 where: short stacking energy: -34.745 Base-Backbone interact. energy: -0.336 local terms energy: -40.401273 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -9.344 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -102.430932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.430932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.430932 (E_RNA) where: Base-Base interactions energy: -69.521 where: short stacking energy: -34.722 Base-Backbone interact. energy: -0.459 local terms energy: -32.451494 where: bonds (distance) C4'-P energy: -5.853 bonds (distance) P-C4' energy: -5.663 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -7.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -93.475042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.475042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.475042 (E_RNA) where: Base-Base interactions energy: -59.253 where: short stacking energy: -30.241 Base-Backbone interact. energy: -0.901 local terms energy: -33.320795 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -6.099 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: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -105.297819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.297819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.297819 (E_RNA) where: Base-Base interactions energy: -72.694 where: short stacking energy: -35.624 Base-Backbone interact. energy: -1.104 local terms energy: -31.499653 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -7.742 flat angles P-C4'-P energy: -3.790 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: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -70.888388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.888388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.888388 (E_RNA) where: Base-Base interactions energy: -42.936 where: short stacking energy: -16.736 Base-Backbone interact. energy: -0.098 local terms energy: -27.854553 where: bonds (distance) C4'-P energy: -4.819 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.218 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: 8, replica: 9 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -50.372430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.372430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.372430 (E_RNA) where: Base-Base interactions energy: -19.525 where: short stacking energy: -19.525 Base-Backbone interact. energy: -0.295 local terms energy: -30.552594 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -50.943427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.943427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.943427 (E_RNA) where: Base-Base interactions energy: -23.154 where: short stacking energy: -23.154 Base-Backbone interact. energy: -0.001 local terms energy: -27.788682 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -53.265896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.265896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.265896 (E_RNA) where: Base-Base interactions energy: -25.194 where: short stacking energy: -21.541 Base-Backbone interact. energy: -0.143 local terms energy: -27.928792 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -1.779 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: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -109.480296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.480296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.480296 (E_RNA) where: Base-Base interactions energy: -69.522 where: short stacking energy: -34.683 Base-Backbone interact. energy: -1.211 local terms energy: -38.747232 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -7.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -104.866190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.866190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.866190 (E_RNA) where: Base-Base interactions energy: -73.852 where: short stacking energy: -31.467 Base-Backbone interact. energy: -0.067 local terms energy: -30.946915 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.221 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: -6.130 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: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -103.458601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.458601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.458601 (E_RNA) where: Base-Base interactions energy: -67.811 where: short stacking energy: -35.071 Base-Backbone interact. energy: -1.797 local terms energy: -33.850218 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -7.492 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: 10 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -103.861666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.861666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.861666 (E_RNA) where: Base-Base interactions energy: -72.745 where: short stacking energy: -31.837 Base-Backbone interact. energy: -0.275 local terms energy: -30.841698 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -6.874 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: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -94.703872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.703872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.703872 (E_RNA) where: Base-Base interactions energy: -67.062 where: short stacking energy: -31.666 Base-Backbone interact. energy: -0.048 local terms energy: -27.594209 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -5.558 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -6.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -66.372836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.372836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.372836 (E_RNA) where: Base-Base interactions energy: -37.412 where: short stacking energy: -34.894 Base-Backbone interact. energy: -0.099 local terms energy: -28.861979 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -5.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -99.741718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.741718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.741718 (E_RNA) where: Base-Base interactions energy: -67.752 where: short stacking energy: -31.495 Base-Backbone interact. energy: -0.507 local terms energy: -31.482668 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.842 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -61.562653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.562653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.562653 (E_RNA) where: Base-Base interactions energy: -30.527 where: short stacking energy: -29.737 Base-Backbone interact. energy: -0.002 local terms energy: -31.033769 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -8.257 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: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -47.458795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.458795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.458795 (E_RNA) where: Base-Base interactions energy: -19.067 where: short stacking energy: -19.067 Base-Backbone interact. energy: -0.005 local terms energy: -28.387537 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.935 flat angles C4'-P-C4' energy: -7.793 flat angles P-C4'-P energy: 0.096 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -54.398618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.398618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.398618 (E_RNA) where: Base-Base interactions energy: -23.302 where: short stacking energy: -23.302 Base-Backbone interact. energy: -0.001 local terms energy: -31.095584 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -6.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -111.092839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.092839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.092839 (E_RNA) where: Base-Base interactions energy: -72.100 where: short stacking energy: -35.012 Base-Backbone interact. energy: -0.163 local terms energy: -38.829592 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.799 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -8.159 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: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -106.467047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.467047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.467047 (E_RNA) where: Base-Base interactions energy: -69.876 where: short stacking energy: -34.913 Base-Backbone interact. energy: -1.401 local terms energy: -35.190553 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -108.569906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.569906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.569906 (E_RNA) where: Base-Base interactions energy: -73.202 where: short stacking energy: -36.498 Base-Backbone interact. energy: -0.381 local terms energy: -34.986827 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.652 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -7.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -106.120808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.120808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.120808 (E_RNA) where: Base-Base interactions energy: -78.201 where: short stacking energy: -30.714 Base-Backbone interact. energy: -0.000 local terms energy: -27.919589 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.631 flat angles C4'-P-C4' energy: -8.259 flat angles P-C4'-P energy: -1.177 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -74.075111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.075111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.075111 (E_RNA) where: Base-Base interactions energy: -43.306 where: short stacking energy: -25.463 Base-Backbone interact. energy: 1.085 local terms energy: -31.854572 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -101.237113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.237113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.237113 (E_RNA) where: Base-Base interactions energy: -66.901 where: short stacking energy: -32.445 Base-Backbone interact. energy: -1.744 local terms energy: -32.592159 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.782 flat angles P-C4'-P energy: -1.871 tors. eta vs tors. theta energy: -6.203 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: 7, replica: 4 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -97.754439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.754439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.754439 (E_RNA) where: Base-Base interactions energy: -61.263 where: short stacking energy: -25.063 Base-Backbone interact. energy: -1.061 local terms energy: -35.430018 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -6.954 flat angles C4'-P-C4' energy: -8.785 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -7.827 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: 6 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -63.760403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.760403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.760403 (E_RNA) where: Base-Base interactions energy: -30.929 where: short stacking energy: -20.698 Base-Backbone interact. energy: -0.384 local terms energy: -32.448095 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -5.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -56.367269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.367269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.367269 (E_RNA) where: Base-Base interactions energy: -27.889 where: short stacking energy: -27.889 Base-Backbone interact. energy: -0.025 local terms energy: -28.453315 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -50.968172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.968172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.968172 (E_RNA) where: Base-Base interactions energy: -22.912 where: short stacking energy: -22.837 Base-Backbone interact. energy: -0.003 local terms energy: -28.053185 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -4.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -106.645333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.645333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.645333 (E_RNA) where: Base-Base interactions energy: -66.558 where: short stacking energy: -33.693 Base-Backbone interact. energy: -0.810 local terms energy: -39.276820 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.949 flat angles P-C4'-P energy: -6.546 tors. eta vs tors. theta energy: -6.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -108.269013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.269013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.269013 (E_RNA) where: Base-Base interactions energy: -74.862 where: short stacking energy: -37.180 Base-Backbone interact. energy: -1.088 local terms energy: -32.318659 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -7.486 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: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -98.766729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.766729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.766729 (E_RNA) where: Base-Base interactions energy: -64.238 where: short stacking energy: -29.593 Base-Backbone interact. energy: -0.580 local terms energy: -33.948896 where: bonds (distance) C4'-P energy: -6.748 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.786 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -5.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -99.631101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.631101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.631101 (E_RNA) where: Base-Base interactions energy: -63.686 where: short stacking energy: -31.647 Base-Backbone interact. energy: -1.919 local terms energy: -34.026564 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -74.013766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.013766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.013766 (E_RNA) where: Base-Base interactions energy: -44.765 where: short stacking energy: -26.161 Base-Backbone interact. energy: -0.039 local terms energy: -29.209474 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -99.556424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.556424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.556424 (E_RNA) where: Base-Base interactions energy: -66.946 where: short stacking energy: -32.966 Base-Backbone interact. energy: -0.688 local terms energy: -31.922065 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.925 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -6.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -80.716007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.716007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.716007 (E_RNA) where: Base-Base interactions energy: -54.128 where: short stacking energy: -28.370 Base-Backbone interact. energy: -1.647 local terms energy: -24.941457 where: bonds (distance) C4'-P energy: -2.533 bonds (distance) P-C4' energy: -7.085 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -5.798 tors. eta vs tors. theta energy: -4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -59.338581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.338581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.338581 (E_RNA) where: Base-Base interactions energy: -28.831 where: short stacking energy: -28.831 Base-Backbone interact. energy: 0.019 local terms energy: -30.526211 where: bonds (distance) C4'-P energy: -4.946 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -5.712 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: 9, replica: 6 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -58.003247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.003247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.003247 (E_RNA) where: Base-Base interactions energy: -29.047 where: short stacking energy: -20.525 Base-Backbone interact. energy: -0.275 local terms energy: -28.681475 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -8.942 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -2.634 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: 10, replica: 9 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -53.739559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.739559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.739559 (E_RNA) where: Base-Base interactions energy: -27.243 where: short stacking energy: -10.590 Base-Backbone interact. energy: -0.011 local terms energy: -26.485597 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -2.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -110.782090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.782090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.782090 (E_RNA) where: Base-Base interactions energy: -72.517 where: short stacking energy: -36.367 Base-Backbone interact. energy: -0.909 local terms energy: -37.355751 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -4.259 flat angles P-C4'-P energy: -6.457 tors. eta vs tors. theta energy: -9.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -109.794873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.794873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.794873 (E_RNA) where: Base-Base interactions energy: -79.474 where: short stacking energy: -36.540 Base-Backbone interact. energy: -0.041 local terms energy: -30.280251 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -6.877 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: 3, replica: 2 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -110.795327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.795327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.795327 (E_RNA) where: Base-Base interactions energy: -80.429 where: short stacking energy: -32.731 Base-Backbone interact. energy: -0.033 local terms energy: -30.334032 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -1.872 tors. eta vs tors. theta energy: -7.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -103.600246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.600246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.600246 (E_RNA) where: Base-Base interactions energy: -65.059 where: short stacking energy: -27.623 Base-Backbone interact. energy: -0.013 local terms energy: -38.528147 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.792 flat angles P-C4'-P energy: -7.019 tors. eta vs tors. theta energy: -5.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -105.634480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.634480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.634480 (E_RNA) where: Base-Base interactions energy: -69.316 where: short stacking energy: -34.190 Base-Backbone interact. energy: -1.582 local terms energy: -34.736411 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -6.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -58.478801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.478801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.478801 (E_RNA) where: Base-Base interactions energy: -22.864 where: short stacking energy: -22.864 Base-Backbone interact. energy: -0.001 local terms energy: -35.613550 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -4.889 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: 62 Temperature: 1.200000 Total energy: -63.112858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.112858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.112858 (E_RNA) where: Base-Base interactions energy: -35.355 where: short stacking energy: -22.940 Base-Backbone interact. energy: -0.025 local terms energy: -27.733062 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.259 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -1.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -59.986407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.986407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.986407 (E_RNA) where: Base-Base interactions energy: -28.567 where: short stacking energy: -28.567 Base-Backbone interact. energy: -0.146 local terms energy: -31.273285 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -6.256 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: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -53.008645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.008645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.008645 (E_RNA) where: Base-Base interactions energy: -22.933 where: short stacking energy: -22.933 Base-Backbone interact. energy: -0.000 local terms energy: -30.075419 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -8.011 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -4.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -58.308239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.308239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.308239 (E_RNA) where: Base-Base interactions energy: -31.758 where: short stacking energy: -23.979 Base-Backbone interact. energy: -0.000 local terms energy: -26.549468 where: bonds (distance) C4'-P energy: -5.912 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -2.588 tors. eta vs tors. theta energy: -3.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -109.757306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.757306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.757306 (E_RNA) where: Base-Base interactions energy: -70.763 where: short stacking energy: -34.297 Base-Backbone interact. energy: -2.066 local terms energy: -36.928131 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -7.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -109.697145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.697145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.697145 (E_RNA) where: Base-Base interactions energy: -78.208 where: short stacking energy: -30.262 Base-Backbone interact. energy: -0.184 local terms energy: -31.305219 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -3.002 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: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -99.769513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.769513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.769513 (E_RNA) where: Base-Base interactions energy: -70.093 where: short stacking energy: -35.766 Base-Backbone interact. energy: -0.028 local terms energy: -29.649204 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -104.490995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.490995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.490995 (E_RNA) where: Base-Base interactions energy: -67.384 where: short stacking energy: -29.747 Base-Backbone interact. energy: -0.561 local terms energy: -36.545523 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -7.298 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -102.099370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.099370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.099370 (E_RNA) where: Base-Base interactions energy: -70.170 where: short stacking energy: -36.659 Base-Backbone interact. energy: -0.003 local terms energy: -31.926429 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -63.761876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.761876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.761876 (E_RNA) where: Base-Base interactions energy: -30.282 where: short stacking energy: -30.282 Base-Backbone interact. energy: -0.018 local terms energy: -33.461867 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: -5.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -53.631614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.631614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.631614 (E_RNA) where: Base-Base interactions energy: -23.488 where: short stacking energy: -23.488 Base-Backbone interact. energy: -0.133 local terms energy: -30.010317 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -4.427 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: 8, replica: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -66.428548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.428548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.428548 (E_RNA) where: Base-Base interactions energy: -30.133 where: short stacking energy: -30.133 Base-Backbone interact. energy: -0.000 local terms energy: -36.295839 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -9.608 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: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -61.972476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.972476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.972476 (E_RNA) where: Base-Base interactions energy: -33.186 where: short stacking energy: -33.186 Base-Backbone interact. energy: -0.001 local terms energy: -28.785677 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -4.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -54.942310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.942310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.942310 (E_RNA) where: Base-Base interactions energy: -25.448 where: short stacking energy: -22.677 Base-Backbone interact. energy: -0.041 local terms energy: -29.453602 where: bonds (distance) C4'-P energy: -6.855 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -2.718 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: 1, replica: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -112.596131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.596131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.596131 (E_RNA) where: Base-Base interactions energy: -75.202 where: short stacking energy: -37.890 Base-Backbone interact. energy: 0.312 local terms energy: -37.706789 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -5.874 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: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -106.924187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.924187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.924187 (E_RNA) where: Base-Base interactions energy: -69.020 where: short stacking energy: -34.835 Base-Backbone interact. energy: -1.492 local terms energy: -36.412126 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -5.622 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: 3, replica: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -104.383570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.383570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.383570 (E_RNA) where: Base-Base interactions energy: -76.910 where: short stacking energy: -27.998 Base-Backbone interact. energy: -0.126 local terms energy: -27.346994 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -1.029 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -101.652379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.652379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.652379 (E_RNA) where: Base-Base interactions energy: -66.033 where: short stacking energy: -27.089 Base-Backbone interact. energy: -0.906 local terms energy: -34.713327 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.206 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -94.649183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.649183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.649183 (E_RNA) where: Base-Base interactions energy: -65.661 where: short stacking energy: -31.968 Base-Backbone interact. energy: -0.228 local terms energy: -28.759899 where: bonds (distance) C4'-P energy: -2.756 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -64.361774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.361774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.361774 (E_RNA) where: Base-Base interactions energy: -39.084 where: short stacking energy: -12.636 Base-Backbone interact. energy: 0.441 local terms energy: -25.718926 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -3.414 flat angles P-C4'-P energy: -6.226 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: 7, replica: 4 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -60.350905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.350905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.350905 (E_RNA) where: Base-Base interactions energy: -30.651 where: short stacking energy: -30.651 Base-Backbone interact. energy: -0.001 local terms energy: -29.698586 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -3.132 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -5.562 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: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -53.193403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.193403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.193403 (E_RNA) where: Base-Base interactions energy: -27.663 where: short stacking energy: -27.663 Base-Backbone interact. energy: -0.221 local terms energy: -25.308943 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -1.033 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: 9, replica: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -51.328570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.328570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.328570 (E_RNA) where: Base-Base interactions energy: -23.555 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.001 local terms energy: -27.772669 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -4.500 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: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -49.814966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.814966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.814966 (E_RNA) where: Base-Base interactions energy: -28.458 where: short stacking energy: -20.059 Base-Backbone interact. energy: -0.003 local terms energy: -21.354158 where: bonds (distance) C4'-P energy: -1.594 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -4.570 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: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -109.696602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.696602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.696602 (E_RNA) where: Base-Base interactions energy: -72.908 where: short stacking energy: -35.571 Base-Backbone interact. energy: -2.034 local terms energy: -34.754020 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -6.797 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -5.658 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: 2, replica: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -113.574610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.574610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.574610 (E_RNA) where: Base-Base interactions energy: -72.111 where: short stacking energy: -34.528 Base-Backbone interact. energy: -1.464 local terms energy: -39.999987 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -6.938 tors. eta vs tors. theta energy: -7.461 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: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -99.247396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.247396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.247396 (E_RNA) where: Base-Base interactions energy: -66.981 where: short stacking energy: -30.828 Base-Backbone interact. energy: -0.907 local terms energy: -31.359415 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -5.666 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: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -93.739569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.739569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.739569 (E_RNA) where: Base-Base interactions energy: -63.524 where: short stacking energy: -31.482 Base-Backbone interact. energy: -0.072 local terms energy: -30.143707 where: bonds (distance) C4'-P energy: -5.270 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -7.127 tors. eta vs tors. theta energy: -5.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -92.549879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.549879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.549879 (E_RNA) where: Base-Base interactions energy: -60.100 where: short stacking energy: -32.533 Base-Backbone interact. energy: -0.081 local terms energy: -32.369668 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -5.036 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: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -52.561440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.561440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.561440 (E_RNA) where: Base-Base interactions energy: -22.310 where: short stacking energy: -22.310 Base-Backbone interact. energy: -0.005 local terms energy: -30.246749 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -3.093 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: 7, replica: 4 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -56.834347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.834347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.834347 (E_RNA) where: Base-Base interactions energy: -26.876 where: short stacking energy: -26.876 Base-Backbone interact. energy: -0.120 local terms energy: -29.838089 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -5.247 flat angles C4'-P-C4' energy: -6.933 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -4.766 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: 6 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -62.631318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.631318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.631318 (E_RNA) where: Base-Base interactions energy: -36.681 where: short stacking energy: -20.134 Base-Backbone interact. energy: -0.001 local terms energy: -25.949108 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -2.053 tors. eta vs tors. theta energy: -0.293 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: 5 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -54.882831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.882831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.882831 (E_RNA) where: Base-Base interactions energy: -23.731 where: short stacking energy: -23.731 Base-Backbone interact. energy: -0.182 local terms energy: -30.969009 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -5.312 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: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -52.773197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.773197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.773197 (E_RNA) where: Base-Base interactions energy: -21.717 where: short stacking energy: -17.279 Base-Backbone interact. energy: -0.008 local terms energy: -31.048362 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.095 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -106.703440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.703440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.703440 (E_RNA) where: Base-Base interactions energy: -68.121 where: short stacking energy: -32.757 Base-Backbone interact. energy: -0.753 local terms energy: -37.829889 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -6.929 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: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -107.296147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.296147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.296147 (E_RNA) where: Base-Base interactions energy: -74.431 where: short stacking energy: -36.485 Base-Backbone interact. energy: -0.538 local terms energy: -32.327763 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -6.528 tors. eta vs tors. theta energy: -6.463 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: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -96.919456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.919456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.919456 (E_RNA) where: Base-Base interactions energy: -66.472 where: short stacking energy: -29.923 Base-Backbone interact. energy: 0.708 local terms energy: -31.154815 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -8.260 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -6.529 tors. eta vs tors. theta energy: -5.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -102.217162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.217162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.217162 (E_RNA) where: Base-Base interactions energy: -71.491 where: short stacking energy: -34.847 Base-Backbone interact. energy: -0.767 local terms energy: -29.959977 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -3.917 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -6.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -60.800703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.800703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.800703 (E_RNA) where: Base-Base interactions energy: -31.479 where: short stacking energy: -26.429 Base-Backbone interact. energy: -0.005 local terms energy: -29.316617 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -95.465857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.465857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.465857 (E_RNA) where: Base-Base interactions energy: -63.463 where: short stacking energy: -29.018 Base-Backbone interact. energy: -0.005 local terms energy: -31.997960 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -3.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -92.445877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.445877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.445877 (E_RNA) where: Base-Base interactions energy: -59.677 where: short stacking energy: -25.646 Base-Backbone interact. energy: -0.009 local terms energy: -32.760154 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -5.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -49.351704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.351704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.351704 (E_RNA) where: Base-Base interactions energy: -25.093 where: short stacking energy: -15.930 Base-Backbone interact. energy: -0.230 local terms energy: -24.028676 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -0.567 tors. eta vs tors. theta energy: -0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -101.370490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.370490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.370490 (E_RNA) where: Base-Base interactions energy: -66.445 where: short stacking energy: -33.439 Base-Backbone interact. energy: -1.304 local terms energy: -33.621787 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -1.189 tors. eta vs tors. theta energy: -8.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -73.979512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.979512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.979512 (E_RNA) where: Base-Base interactions energy: -53.002 where: short stacking energy: -19.147 Base-Backbone interact. energy: -0.032 local terms energy: -20.945722 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -5.486 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -0.639 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -112.689690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.689690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.689690 (E_RNA) where: Base-Base interactions energy: -74.207 where: short stacking energy: -37.079 Base-Backbone interact. energy: -1.148 local terms energy: -37.334896 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.002 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -5.214 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: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -107.107076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.107076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.107076 (E_RNA) where: Base-Base interactions energy: -71.968 where: short stacking energy: -33.607 Base-Backbone interact. energy: -0.011 local terms energy: -35.128522 where: bonds (distance) C4'-P energy: -4.952 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -8.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -101.730805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.730805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.730805 (E_RNA) where: Base-Base interactions energy: -70.134 where: short stacking energy: -34.386 Base-Backbone interact. energy: -0.152 local terms energy: -31.444232 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -5.615 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -5.629 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: 4, replica: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -99.078308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.078308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.078308 (E_RNA) where: Base-Base interactions energy: -64.969 where: short stacking energy: -28.786 Base-Backbone interact. energy: -0.492 local terms energy: -33.616884 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -6.225 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: 5, replica: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -68.970437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.970437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.970437 (E_RNA) where: Base-Base interactions energy: -34.432 where: short stacking energy: -34.432 Base-Backbone interact. energy: -0.006 local terms energy: -34.532879 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -8.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -82.920384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.920384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.920384 (E_RNA) where: Base-Base interactions energy: -58.307 where: short stacking energy: -24.487 Base-Backbone interact. energy: 1.009 local terms energy: -25.622515 where: bonds (distance) C4'-P energy: -4.070 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -3.588 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: 67 Temperature: 1.200000 Total energy: -85.812031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.812031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.812031 (E_RNA) where: Base-Base interactions energy: -57.704 where: short stacking energy: -28.611 Base-Backbone interact. energy: -0.004 local terms energy: -28.103607 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -2.109 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: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -92.542009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.542009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.542009 (E_RNA) where: Base-Base interactions energy: -60.785 where: short stacking energy: -29.605 Base-Backbone interact. energy: -0.008 local terms energy: -31.748552 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.956 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: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -64.638425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.638425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.638425 (E_RNA) where: Base-Base interactions energy: -46.641 where: short stacking energy: -11.712 Base-Backbone interact. energy: -0.106 local terms energy: -17.892307 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.383 flat angles C4'-P-C4' energy: -1.586 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: 0.351 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: 67 Temperature: 1.350000 Total energy: -51.137533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.137533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.137533 (E_RNA) where: Base-Base interactions energy: -23.260 where: short stacking energy: -19.157 Base-Backbone interact. energy: -0.020 local terms energy: -27.857237 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.793 flat angles C4'-P-C4' energy: -7.321 flat angles P-C4'-P energy: -2.053 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: 1, replica: 1 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -109.226493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.226493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.226493 (E_RNA) where: Base-Base interactions energy: -74.994 where: short stacking energy: -37.913 Base-Backbone interact. energy: -0.864 local terms energy: -33.368702 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -7.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -107.936141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.936141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.936141 (E_RNA) where: Base-Base interactions energy: -73.442 where: short stacking energy: -36.818 Base-Backbone interact. energy: -0.373 local terms energy: -34.121404 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -6.261 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: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -103.930246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.930246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.930246 (E_RNA) where: Base-Base interactions energy: -74.473 where: short stacking energy: -29.641 Base-Backbone interact. energy: 0.516 local terms energy: -29.974208 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -0.757 tors. eta vs tors. theta energy: -4.998 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: 4, replica: 2 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -104.832838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.832838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.832838 (E_RNA) where: Base-Base interactions energy: -71.463 where: short stacking energy: -33.656 Base-Backbone interact. energy: -0.424 local terms energy: -32.945414 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -3.491 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: 5, replica: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -98.224392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.224392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.224392 (E_RNA) where: Base-Base interactions energy: -72.039 where: short stacking energy: -33.840 Base-Backbone interact. energy: -0.085 local terms energy: -26.100539 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -4.787 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -4.053 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: 6, replica: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -58.415218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.415218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.415218 (E_RNA) where: Base-Base interactions energy: -26.925 where: short stacking energy: -24.063 Base-Backbone interact. energy: -0.443 local terms energy: -31.046600 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -3.243 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: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -99.398171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.398171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.398171 (E_RNA) where: Base-Base interactions energy: -65.927 where: short stacking energy: -34.423 Base-Backbone interact. energy: -0.053 local terms energy: -33.418271 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -8.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -67.582008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.582008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.582008 (E_RNA) where: Base-Base interactions energy: -44.901 where: short stacking energy: -20.239 Base-Backbone interact. energy: -0.017 local terms energy: -22.664282 where: bonds (distance) C4'-P energy: -5.341 bonds (distance) P-C4' energy: -5.313 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -64.683614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.683614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.683614 (E_RNA) where: Base-Base interactions energy: -45.137 where: short stacking energy: -9.738 Base-Backbone interact. energy: -0.087 local terms energy: -19.459659 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -6.018 flat angles C4'-P-C4' energy: -2.732 flat angles P-C4'-P energy: -3.317 tors. eta vs tors. theta energy: 1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -54.566379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.566379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.566379 (E_RNA) where: Base-Base interactions energy: -26.329 where: short stacking energy: -23.222 Base-Backbone interact. energy: -0.076 local terms energy: -28.160636 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -0.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -111.927030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.927030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.927030 (E_RNA) where: Base-Base interactions energy: -68.705 where: short stacking energy: -35.841 Base-Backbone interact. energy: -2.150 local terms energy: -41.071565 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -7.206 tors. eta vs tors. theta energy: -7.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -105.974707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.974707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.974707 (E_RNA) where: Base-Base interactions energy: -70.209 where: short stacking energy: -34.936 Base-Backbone interact. energy: -0.031 local terms energy: -35.733840 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -9.104 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -8.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -109.061930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.061930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.061930 (E_RNA) where: Base-Base interactions energy: -71.569 where: short stacking energy: -37.084 Base-Backbone interact. energy: 0.210 local terms energy: -37.702257 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -6.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -103.549183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.549183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.549183 (E_RNA) where: Base-Base interactions energy: -68.856 where: short stacking energy: -33.524 Base-Backbone interact. energy: -0.006 local terms energy: -34.687214 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -3.771 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: 5, replica: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -106.178950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.178950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.178950 (E_RNA) where: Base-Base interactions energy: -71.741 where: short stacking energy: -36.665 Base-Backbone interact. energy: -0.418 local terms energy: -34.019461 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -7.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -105.765299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.765299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.765299 (E_RNA) where: Base-Base interactions energy: -67.949 where: short stacking energy: -33.087 Base-Backbone interact. energy: -0.693 local terms energy: -37.122732 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -7.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -59.903128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.903128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.903128 (E_RNA) where: Base-Base interactions energy: -26.718 where: short stacking energy: -26.718 Base-Backbone interact. energy: -0.005 local terms energy: -33.180352 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -3.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -68.170716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.170716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.170716 (E_RNA) where: Base-Base interactions energy: -33.004 where: short stacking energy: -33.004 Base-Backbone interact. energy: -0.000 local terms energy: -35.166127 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -1.952 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: 9, replica: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -66.516872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.516872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.516872 (E_RNA) where: Base-Base interactions energy: -41.082 where: short stacking energy: -26.430 Base-Backbone interact. energy: -0.018 local terms energy: -25.417380 where: bonds (distance) C4'-P energy: -3.735 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -56.827743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.827743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.827743 (E_RNA) where: Base-Base interactions energy: -28.967 where: short stacking energy: -26.828 Base-Backbone interact. energy: -0.089 local terms energy: -27.771644 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -5.969 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: 70 Temperature: 0.900000 Total energy: -108.192721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.192721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.192721 (E_RNA) where: Base-Base interactions energy: -74.752 where: short stacking energy: -32.826 Base-Backbone interact. energy: -0.003 local terms energy: -33.437769 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -1.474 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: 2, replica: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -109.655561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.655561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.655561 (E_RNA) where: Base-Base interactions energy: -73.407 where: short stacking energy: -36.301 Base-Backbone interact. energy: -1.529 local terms energy: -34.719381 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -5.744 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: 3, replica: 6 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -104.517320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.517320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.517320 (E_RNA) where: Base-Base interactions energy: -71.521 where: short stacking energy: -30.531 Base-Backbone interact. energy: 0.485 local terms energy: -33.481322 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.106 flat angles P-C4'-P energy: -3.053 tors. eta vs tors. theta energy: -6.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -102.630552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.630552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.630552 (E_RNA) where: Base-Base interactions energy: -69.159 where: short stacking energy: -35.010 Base-Backbone interact. energy: -1.321 local terms energy: -32.150294 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -7.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -98.590702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.590702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.590702 (E_RNA) where: Base-Base interactions energy: -64.902 where: short stacking energy: -23.627 Base-Backbone interact. energy: -0.067 local terms energy: -33.622220 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -79.773025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.773025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.773025 (E_RNA) where: Base-Base interactions energy: -54.186 where: short stacking energy: -23.607 Base-Backbone interact. energy: -1.055 local terms energy: -24.531459 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -2.159 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: 7, replica: 4 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -55.246458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.246458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.246458 (E_RNA) where: Base-Base interactions energy: -28.347 where: short stacking energy: -20.700 Base-Backbone interact. energy: -0.110 local terms energy: -26.788790 where: bonds (distance) C4'-P energy: -4.296 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -57.183623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.183623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.183623 (E_RNA) where: Base-Base interactions energy: -25.315 where: short stacking energy: -25.315 Base-Backbone interact. energy: -0.003 local terms energy: -31.865735 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -5.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -50.641606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.641606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.641606 (E_RNA) where: Base-Base interactions energy: -26.398 where: short stacking energy: -26.398 Base-Backbone interact. energy: -0.092 local terms energy: -24.151210 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -2.534 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: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -51.317789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.317789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.317789 (E_RNA) where: Base-Base interactions energy: -22.039 where: short stacking energy: -22.039 Base-Backbone interact. energy: -0.162 local terms energy: -29.117546 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -110.358954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.358954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.358954 (E_RNA) where: Base-Base interactions energy: -71.511 where: short stacking energy: -35.897 Base-Backbone interact. energy: -1.025 local terms energy: -37.823243 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -6.371 tors. eta vs tors. theta energy: -8.237 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: 71 Temperature: 0.950000 Total energy: -106.565534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.565534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.565534 (E_RNA) where: Base-Base interactions energy: -72.141 where: short stacking energy: -33.663 Base-Backbone interact. energy: -0.129 local terms energy: -34.295546 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -6.208 tors. eta vs tors. theta energy: -4.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -109.580418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.580418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.580418 (E_RNA) where: Base-Base interactions energy: -73.522 where: short stacking energy: -35.939 Base-Backbone interact. energy: -0.005 local terms energy: -36.053238 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -5.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -94.561959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.561959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.561959 (E_RNA) where: Base-Base interactions energy: -62.696 where: short stacking energy: -32.495 Base-Backbone interact. energy: -0.163 local terms energy: -31.703277 where: bonds (distance) C4'-P energy: -3.726 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.669 flat angles P-C4'-P energy: -3.826 tors. eta vs tors. theta energy: -6.162 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: 5, replica: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -103.705797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.705797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.705797 (E_RNA) where: Base-Base interactions energy: -69.734 where: short stacking energy: -36.344 Base-Backbone interact. energy: -1.589 local terms energy: -32.382803 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -7.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -62.553383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.553383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.553383 (E_RNA) where: Base-Base interactions energy: -34.632 where: short stacking energy: -28.842 Base-Backbone interact. energy: -0.001 local terms energy: -27.920250 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -3.247 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: 2 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -49.604090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.604090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.604090 (E_RNA) where: Base-Base interactions energy: -21.160 where: short stacking energy: -15.147 Base-Backbone interact. energy: -0.199 local terms energy: -28.245520 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -1.836 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: 8, replica: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -62.844359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.844359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.844359 (E_RNA) where: Base-Base interactions energy: -35.168 where: short stacking energy: -20.089 Base-Backbone interact. energy: -0.610 local terms energy: -27.067252 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -58.287574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.287574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.287574 (E_RNA) where: Base-Base interactions energy: -32.346 where: short stacking energy: -29.236 Base-Backbone interact. energy: -0.002 local terms energy: -25.939907 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -4.379 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: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -51.885643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.885643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.885643 (E_RNA) where: Base-Base interactions energy: -26.228 where: short stacking energy: -23.195 Base-Backbone interact. energy: -0.001 local terms energy: -25.656288 where: bonds (distance) C4'-P energy: -3.476 bonds (distance) P-C4' energy: -6.819 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -5.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -115.091390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.091390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.091390 (E_RNA) where: Base-Base interactions energy: -76.513 where: short stacking energy: -35.121 Base-Backbone interact. energy: -0.387 local terms energy: -38.191459 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.765 flat angles P-C4'-P energy: -5.672 tors. eta vs tors. theta energy: -7.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -108.714311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.714311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.714311 (E_RNA) where: Base-Base interactions energy: -75.363 where: short stacking energy: -38.201 Base-Backbone interact. energy: -0.021 local terms energy: -33.330353 where: bonds (distance) C4'-P energy: -4.906 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -6.332 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: 9 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -107.364293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.364293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.364293 (E_RNA) where: Base-Base interactions energy: -70.647 where: short stacking energy: -36.973 Base-Backbone interact. energy: -0.004 local terms energy: -36.713075 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -3.374 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: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -107.215746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.215746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.215746 (E_RNA) where: Base-Base interactions energy: -70.220 where: short stacking energy: -35.980 Base-Backbone interact. energy: -1.337 local terms energy: -35.659160 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -4.814 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: 5, replica: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -102.226454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.226454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.226454 (E_RNA) where: Base-Base interactions energy: -70.808 where: short stacking energy: -36.670 Base-Backbone interact. energy: -0.002 local terms energy: -31.417203 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -1.307 tors. eta vs tors. theta energy: -8.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -74.032414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.032414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.032414 (E_RNA) where: Base-Base interactions energy: -38.209 where: short stacking energy: -28.022 Base-Backbone interact. energy: -0.005 local terms energy: -35.819137 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -4.734 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: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -80.766391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.766391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.766391 (E_RNA) where: Base-Base interactions energy: -58.070 where: short stacking energy: -19.389 Base-Backbone interact. energy: -0.058 local terms energy: -22.638584 where: bonds (distance) C4'-P energy: -2.988 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -2.663 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -4.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -57.237468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.237468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.237468 (E_RNA) where: Base-Base interactions energy: -29.556 where: short stacking energy: -24.145 Base-Backbone interact. energy: -0.106 local terms energy: -27.575569 where: bonds (distance) C4'-P energy: -3.584 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -9.109 flat angles P-C4'-P energy: -5.730 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: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -55.243030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.243030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.243030 (E_RNA) where: Base-Base interactions energy: -21.959 where: short stacking energy: -21.959 Base-Backbone interact. energy: -0.021 local terms energy: -33.262940 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -8.198 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -57.073205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.073205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.073205 (E_RNA) where: Base-Base interactions energy: -30.160 where: short stacking energy: -16.525 Base-Backbone interact. energy: -0.227 local terms energy: -26.685635 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -3.032 flat angles P-C4'-P energy: -4.763 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: 1, replica: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -111.384177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.384177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.384177 (E_RNA) where: Base-Base interactions energy: -76.190 where: short stacking energy: -32.861 Base-Backbone interact. energy: -0.249 local terms energy: -34.945063 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -6.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -111.008119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.008119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.008119 (E_RNA) where: Base-Base interactions energy: -70.531 where: short stacking energy: -35.944 Base-Backbone interact. energy: -0.524 local terms energy: -39.953070 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -9.117 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -8.193 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: 73 Temperature: 1.000000 Total energy: -104.945848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.945848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.945848 (E_RNA) where: Base-Base interactions energy: -69.938 where: short stacking energy: -33.459 Base-Backbone interact. energy: -0.522 local terms energy: -34.485721 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.766 flat angles P-C4'-P energy: -4.060 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: 4, replica: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -100.726282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.726282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.726282 (E_RNA) where: Base-Base interactions energy: -65.157 where: short stacking energy: -30.739 Base-Backbone interact. energy: -0.005 local terms energy: -35.563981 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -7.882 flat angles C4'-P-C4' energy: -8.819 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -9.290 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: 73 Temperature: 1.100000 Total energy: -92.131863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.131863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.131863 (E_RNA) where: Base-Base interactions energy: -60.874 where: short stacking energy: -31.826 Base-Backbone interact. energy: -1.176 local terms energy: -30.081661 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -4.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -103.830446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.830446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.830446 (E_RNA) where: Base-Base interactions energy: -68.617 where: short stacking energy: -34.334 Base-Backbone interact. energy: -0.597 local terms energy: -34.616505 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -6.412 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: 7, replica: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -72.579326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.579326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.579326 (E_RNA) where: Base-Base interactions energy: -34.754 where: short stacking energy: -34.754 Base-Backbone interact. energy: -0.000 local terms energy: -37.825393 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -10.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -62.938286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.938286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.938286 (E_RNA) where: Base-Base interactions energy: -31.729 where: short stacking energy: -31.729 Base-Backbone interact. energy: -0.000 local terms energy: -31.208840 where: bonds (distance) C4'-P energy: -5.022 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -4.686 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: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -54.814115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.814115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.814115 (E_RNA) where: Base-Base interactions energy: -29.786 where: short stacking energy: -20.310 Base-Backbone interact. energy: -0.019 local terms energy: -25.008551 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -6.747 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -0.903 tors. eta vs tors. theta energy: -1.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -60.259211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.259211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.259211 (E_RNA) where: Base-Base interactions energy: -28.083 where: short stacking energy: -28.008 Base-Backbone interact. energy: -0.170 local terms energy: -32.005932 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.554 flat angles C4'-P-C4' energy: -8.085 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -6.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -108.726452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.726452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.726452 (E_RNA) where: Base-Base interactions energy: -72.142 where: short stacking energy: -37.862 Base-Backbone interact. energy: -1.990 local terms energy: -34.594417 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -5.107 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: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -107.130886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.130886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.130886 (E_RNA) where: Base-Base interactions energy: -70.705 where: short stacking energy: -36.020 Base-Backbone interact. energy: 0.039 local terms energy: -36.464345 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -4.818 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: 3, replica: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -106.521719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.521719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.521719 (E_RNA) where: Base-Base interactions energy: -70.837 where: short stacking energy: -34.522 Base-Backbone interact. energy: -0.009 local terms energy: -35.675487 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -6.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -103.550180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.550180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.550180 (E_RNA) where: Base-Base interactions energy: -67.902 where: short stacking energy: -33.188 Base-Backbone interact. energy: -0.046 local terms energy: -35.602737 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -5.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -103.024024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.024024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.024024 (E_RNA) where: Base-Base interactions energy: -64.869 where: short stacking energy: -29.494 Base-Backbone interact. energy: -1.207 local terms energy: -36.948289 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -7.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -98.800695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.800695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.800695 (E_RNA) where: Base-Base interactions energy: -66.609 where: short stacking energy: -33.028 Base-Backbone interact. energy: -0.018 local terms energy: -32.173903 where: bonds (distance) C4'-P energy: -5.933 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.516 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -6.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -70.244930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.244930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.244930 (E_RNA) where: Base-Base interactions energy: -39.241 where: short stacking energy: -39.241 Base-Backbone interact. energy: -0.043 local terms energy: -30.960886 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -7.245 flat angles P-C4'-P energy: -4.873 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: 7 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -57.751623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.751623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.751623 (E_RNA) where: Base-Base interactions energy: -31.670 where: short stacking energy: -25.603 Base-Backbone interact. energy: -0.077 local terms energy: -26.004632 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -4.630 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: -5.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -93.168078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.168078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.168078 (E_RNA) where: Base-Base interactions energy: -63.603 where: short stacking energy: -29.234 Base-Backbone interact. energy: -0.310 local terms energy: -29.254541 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -5.055 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -5.956 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: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -42.635532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.635532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.635532 (E_RNA) where: Base-Base interactions energy: -21.020 where: short stacking energy: -21.020 Base-Backbone interact. energy: -0.089 local terms energy: -21.526375 where: bonds (distance) C4'-P energy: -1.965 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -2.586 tors. eta vs tors. theta energy: -0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -108.233309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.233309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.233309 (E_RNA) where: Base-Base interactions energy: -70.791 where: short stacking energy: -34.818 Base-Backbone interact. energy: -0.728 local terms energy: -36.713388 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -7.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -110.113968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.113968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.113968 (E_RNA) where: Base-Base interactions energy: -76.175 where: short stacking energy: -34.445 Base-Backbone interact. energy: -0.277 local terms energy: -33.661871 where: bonds (distance) C4'-P energy: -7.906 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -108.310745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.310745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.310745 (E_RNA) where: Base-Base interactions energy: -72.877 where: short stacking energy: -35.627 Base-Backbone interact. energy: -0.018 local terms energy: -35.416026 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -3.759 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: 4, replica: 4 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -102.154878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.154878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.154878 (E_RNA) where: Base-Base interactions energy: -67.270 where: short stacking energy: -31.480 Base-Backbone interact. energy: 0.113 local terms energy: -34.998146 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -6.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -108.589063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.589063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.589063 (E_RNA) where: Base-Base interactions energy: -71.780 where: short stacking energy: -36.213 Base-Backbone interact. energy: -1.860 local terms energy: -34.949098 where: bonds (distance) C4'-P energy: -5.420 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -5.768 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: 6, replica: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -68.269730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.269730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.269730 (E_RNA) where: Base-Base interactions energy: -36.049 where: short stacking energy: -35.942 Base-Backbone interact. energy: -0.000 local terms energy: -32.220218 where: bonds (distance) C4'-P energy: -5.022 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -9.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -62.774526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.774526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.774526 (E_RNA) where: Base-Base interactions energy: -29.155 where: short stacking energy: -29.155 Base-Backbone interact. energy: -0.187 local terms energy: -33.432623 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -5.528 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: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -88.728078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.728078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.728078 (E_RNA) where: Base-Base interactions energy: -55.943 where: short stacking energy: -23.435 Base-Backbone interact. energy: -0.492 local terms energy: -32.293552 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -8.556 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -3.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -52.798588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.798588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.798588 (E_RNA) where: Base-Base interactions energy: -26.150 where: short stacking energy: -22.995 Base-Backbone interact. energy: -0.001 local terms energy: -26.647905 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -1.329 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -52.663701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.663701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.663701 (E_RNA) where: Base-Base interactions energy: -27.479 where: short stacking energy: -27.479 Base-Backbone interact. energy: -0.002 local terms energy: -25.183413 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -1.216 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: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -111.096083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.096083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.096083 (E_RNA) where: Base-Base interactions energy: -72.725 where: short stacking energy: -36.588 Base-Backbone interact. energy: -0.694 local terms energy: -37.677284 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -5.983 tors. eta vs tors. theta energy: -7.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -107.243882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.243882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.243882 (E_RNA) where: Base-Base interactions energy: -70.517 where: short stacking energy: -34.778 Base-Backbone interact. energy: -0.002 local terms energy: -36.724785 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -8.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -106.074287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.074287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.074287 (E_RNA) where: Base-Base interactions energy: -71.635 where: short stacking energy: -30.194 Base-Backbone interact. energy: -0.016 local terms energy: -34.424133 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -7.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -101.550921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.550921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.550921 (E_RNA) where: Base-Base interactions energy: -63.061 where: short stacking energy: -27.893 Base-Backbone interact. energy: -0.013 local terms energy: -38.476780 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.834 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -7.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -97.167152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.167152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.167152 (E_RNA) where: Base-Base interactions energy: -64.653 where: short stacking energy: -29.894 Base-Backbone interact. energy: -0.017 local terms energy: -32.497040 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.952 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -5.644 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: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -72.119967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.119967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.119967 (E_RNA) where: Base-Base interactions energy: -45.257 where: short stacking energy: -26.096 Base-Backbone interact. energy: -0.001 local terms energy: -26.862781 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -1.588 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -98.144817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.144817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.144817 (E_RNA) where: Base-Base interactions energy: -66.332 where: short stacking energy: -34.017 Base-Backbone interact. energy: -0.235 local terms energy: -31.577871 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -5.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -54.740156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.740156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.740156 (E_RNA) where: Base-Base interactions energy: -24.628 where: short stacking energy: -24.628 Base-Backbone interact. energy: -0.002 local terms energy: -30.109816 where: bonds (distance) C4'-P energy: -7.456 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -4.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -54.965971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.965971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.965971 (E_RNA) where: Base-Base interactions energy: -22.334 where: short stacking energy: -22.334 Base-Backbone interact. energy: -0.004 local terms energy: -32.627590 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -6.070 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: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -52.057654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.057654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.057654 (E_RNA) where: Base-Base interactions energy: -22.087 where: short stacking energy: -22.087 Base-Backbone interact. energy: -0.073 local terms energy: -29.897561 where: bonds (distance) C4'-P energy: -5.652 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: -6.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -109.875656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.875656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.875656 (E_RNA) where: Base-Base interactions energy: -75.744 where: short stacking energy: -38.142 Base-Backbone interact. energy: -1.158 local terms energy: -32.973867 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -8.382 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: 4 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -112.096575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.096575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.096575 (E_RNA) where: Base-Base interactions energy: -82.992 where: short stacking energy: -35.236 Base-Backbone interact. energy: -0.005 local terms energy: -29.100150 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: 1.845 tors. eta vs tors. theta energy: -7.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -105.581354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.581354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.581354 (E_RNA) where: Base-Base interactions energy: -68.305 where: short stacking energy: -33.517 Base-Backbone interact. energy: -0.021 local terms energy: -37.255948 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -8.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -104.066541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.066541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.066541 (E_RNA) where: Base-Base interactions energy: -71.458 where: short stacking energy: -35.437 Base-Backbone interact. energy: -0.713 local terms energy: -31.896215 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -6.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -95.005387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.005387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.005387 (E_RNA) where: Base-Base interactions energy: -64.100 where: short stacking energy: -27.390 Base-Backbone interact. energy: -0.044 local terms energy: -30.861685 where: bonds (distance) C4'-P energy: -7.059 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -4.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -81.279903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.279903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.279903 (E_RNA) where: Base-Base interactions energy: -54.449 where: short stacking energy: -28.165 Base-Backbone interact. energy: 0.659 local terms energy: -27.489974 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -58.402180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.402180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.402180 (E_RNA) where: Base-Base interactions energy: -39.577 where: short stacking energy: -5.218 Base-Backbone interact. energy: -0.207 local terms energy: -18.618340 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: 1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -51.584679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.584679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.584679 (E_RNA) where: Base-Base interactions energy: -25.979 where: short stacking energy: -15.203 Base-Backbone interact. energy: -0.042 local terms energy: -25.564264 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -2.755 flat angles P-C4'-P energy: -6.401 tors. eta vs tors. theta energy: -1.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -44.535582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.535582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.535582 (E_RNA) where: Base-Base interactions energy: -16.539 where: short stacking energy: -16.539 Base-Backbone interact. energy: 0.683 local terms energy: -28.679306 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -2.074 tors. eta vs tors. theta energy: -2.448 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: 77 Temperature: 1.350000 Total energy: -54.170704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.170704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.170704 (E_RNA) where: Base-Base interactions energy: -27.040 where: short stacking energy: -18.406 Base-Backbone interact. energy: -0.054 local terms energy: -27.076697 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -5.682 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -111.201101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.201101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.201101 (E_RNA) where: Base-Base interactions energy: -75.079 where: short stacking energy: -37.838 Base-Backbone interact. energy: -1.146 local terms energy: -34.976416 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -8.382 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -5.634 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: 9 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -108.887102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.887102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.887102 (E_RNA) where: Base-Base interactions energy: -73.226 where: short stacking energy: -36.706 Base-Backbone interact. energy: -1.614 local terms energy: -34.047212 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -106.119646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.119646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.119646 (E_RNA) where: Base-Base interactions energy: -75.781 where: short stacking energy: -31.413 Base-Backbone interact. energy: -0.010 local terms energy: -30.328548 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -4.440 flat angles C4'-P-C4' energy: -8.830 flat angles P-C4'-P energy: -2.151 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: 4, replica: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -100.191808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.191808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.191808 (E_RNA) where: Base-Base interactions energy: -63.405 where: short stacking energy: -29.395 Base-Backbone interact. energy: -0.302 local terms energy: -36.484219 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -6.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -101.930137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.930137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.930137 (E_RNA) where: Base-Base interactions energy: -69.695 where: short stacking energy: -38.224 Base-Backbone interact. energy: -0.002 local terms energy: -32.233882 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -6.776 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -9.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -90.544366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.544366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.544366 (E_RNA) where: Base-Base interactions energy: -59.359 where: short stacking energy: -26.220 Base-Backbone interact. energy: 0.011 local terms energy: -31.196986 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -6.594 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -5.131 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: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -56.002574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.002574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.002574 (E_RNA) where: Base-Base interactions energy: -23.618 where: short stacking energy: -21.789 Base-Backbone interact. energy: -0.049 local terms energy: -32.335502 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -7.875 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -5.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -69.719647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.719647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.719647 (E_RNA) where: Base-Base interactions energy: -35.496 where: short stacking energy: -33.390 Base-Backbone interact. energy: -0.006 local terms energy: -34.217511 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -7.822 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: 9, replica: 8 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -60.293928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.293928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.293928 (E_RNA) where: Base-Base interactions energy: -27.634 where: short stacking energy: -27.634 Base-Backbone interact. energy: -0.000 local terms energy: -32.660089 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -5.696 flat angles C4'-P-C4' energy: -8.719 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -8.374 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: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -53.171868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.171868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.171868 (E_RNA) where: Base-Base interactions energy: -26.125 where: short stacking energy: -17.118 Base-Backbone interact. energy: -0.794 local terms energy: -26.253228 where: bonds (distance) C4'-P energy: -5.030 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -6.493 tors. eta vs tors. theta energy: -0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -110.493653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.493653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.493653 (E_RNA) where: Base-Base interactions energy: -71.269 where: short stacking energy: -36.768 Base-Backbone interact. energy: -0.161 local terms energy: -39.063591 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -6.928 tors. eta vs tors. theta energy: -7.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -107.803532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.803532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.803532 (E_RNA) where: Base-Base interactions energy: -74.488 where: short stacking energy: -29.403 Base-Backbone interact. energy: -0.647 local terms energy: -32.669334 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.754 flat angles P-C4'-P energy: -0.614 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: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -102.901152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.901152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.901152 (E_RNA) where: Base-Base interactions energy: -70.895 where: short stacking energy: -35.326 Base-Backbone interact. energy: -0.667 local terms energy: -31.339099 where: bonds (distance) C4'-P energy: -4.461 bonds (distance) P-C4' energy: -6.677 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -8.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -106.146529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.146529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.146529 (E_RNA) where: Base-Base interactions energy: -69.634 where: short stacking energy: -36.224 Base-Backbone interact. energy: -1.854 local terms energy: -34.658653 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -9.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -93.258980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.258980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.258980 (E_RNA) where: Base-Base interactions energy: -58.975 where: short stacking energy: -35.027 Base-Backbone interact. energy: -0.002 local terms energy: -34.282864 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -6.612 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -10.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -50.958047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.958047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.958047 (E_RNA) where: Base-Base interactions energy: -25.695 where: short stacking energy: -15.806 Base-Backbone interact. energy: -0.087 local terms energy: -25.176355 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -82.560529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.560529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.560529 (E_RNA) where: Base-Base interactions energy: -54.801 where: short stacking energy: -21.926 Base-Backbone interact. energy: -0.639 local terms energy: -27.120260 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -4.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -57.964967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.964967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.964967 (E_RNA) where: Base-Base interactions energy: -28.397 where: short stacking energy: -28.397 Base-Backbone interact. energy: -0.000 local terms energy: -29.567552 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.229 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -5.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -51.479280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.479280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.479280 (E_RNA) where: Base-Base interactions energy: -24.392 where: short stacking energy: -24.392 Base-Backbone interact. energy: -0.032 local terms energy: -27.055015 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.190 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -59.360884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.360884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.360884 (E_RNA) where: Base-Base interactions energy: -29.700 where: short stacking energy: -25.802 Base-Backbone interact. energy: -0.001 local terms energy: -29.659963 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.177 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -109.370286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.370286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.370286 (E_RNA) where: Base-Base interactions energy: -73.855 where: short stacking energy: -32.341 Base-Backbone interact. energy: -0.387 local terms energy: -35.127526 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -6.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -107.091581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.091581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.091581 (E_RNA) where: Base-Base interactions energy: -71.860 where: short stacking energy: -35.796 Base-Backbone interact. energy: -0.346 local terms energy: -34.885038 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -8.947 flat angles P-C4'-P energy: -6.222 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: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -111.654252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.654252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.654252 (E_RNA) where: Base-Base interactions energy: -70.559 where: short stacking energy: -37.588 Base-Backbone interact. energy: -2.044 local terms energy: -39.051269 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -7.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -106.605899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.605899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.605899 (E_RNA) where: Base-Base interactions energy: -71.678 where: short stacking energy: -29.913 Base-Backbone interact. energy: -0.025 local terms energy: -34.902933 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -4.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -91.001678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.001678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.001678 (E_RNA) where: Base-Base interactions energy: -57.316 where: short stacking energy: -35.473 Base-Backbone interact. energy: -0.002 local terms energy: -33.683597 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -10.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -77.097363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.097363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.097363 (E_RNA) where: Base-Base interactions energy: -49.432 where: short stacking energy: -25.404 Base-Backbone interact. energy: -0.007 local terms energy: -27.658447 where: bonds (distance) C4'-P energy: -4.562 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -2.652 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -55.453940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.453940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.453940 (E_RNA) where: Base-Base interactions energy: -25.189 where: short stacking energy: -25.189 Base-Backbone interact. energy: -0.047 local terms energy: -30.217948 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -5.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -54.588102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.588102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.588102 (E_RNA) where: Base-Base interactions energy: -24.337 where: short stacking energy: -24.337 Base-Backbone interact. energy: -0.000 local terms energy: -30.251145 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -66.720349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.720349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.720349 (E_RNA) where: Base-Base interactions energy: -44.486 where: short stacking energy: -17.529 Base-Backbone interact. energy: -0.188 local terms energy: -22.045929 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -4.707 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: 0.097 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: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -47.847613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.847613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.847613 (E_RNA) where: Base-Base interactions energy: -22.895 where: short stacking energy: -18.479 Base-Backbone interact. energy: -0.001 local terms energy: -24.951330 where: bonds (distance) C4'-P energy: -5.476 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -115.903133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.903133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.903133 (E_RNA) where: Base-Base interactions energy: -88.872 where: short stacking energy: -36.616 Base-Backbone interact. energy: -0.006 local terms energy: -27.025699 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -0.812 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -112.450263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.450263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.450263 (E_RNA) where: Base-Base interactions energy: -72.536 where: short stacking energy: -36.191 Base-Backbone interact. energy: -0.212 local terms energy: -39.702252 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.656 flat angles P-C4'-P energy: -7.746 tors. eta vs tors. theta energy: -8.555 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: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -106.952682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.952682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.952682 (E_RNA) where: Base-Base interactions energy: -70.231 where: short stacking energy: -33.306 Base-Backbone interact. energy: -0.043 local terms energy: -36.678998 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -8.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -71.666396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.666396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.666396 (E_RNA) where: Base-Base interactions energy: -40.250 where: short stacking energy: -27.508 Base-Backbone interact. energy: -0.018 local terms energy: -31.397925 where: bonds (distance) C4'-P energy: -6.819 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -5.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -105.545561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.545561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.545561 (E_RNA) where: Base-Base interactions energy: -69.448 where: short stacking energy: -34.748 Base-Backbone interact. energy: -0.905 local terms energy: -35.192552 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -6.384 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: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -64.515561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.515561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.515561 (E_RNA) where: Base-Base interactions energy: -30.693 where: short stacking energy: -30.693 Base-Backbone interact. energy: -0.000 local terms energy: -33.822511 where: bonds (distance) C4'-P energy: -3.738 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -5.223 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: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -65.256634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.256634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.256634 (E_RNA) where: Base-Base interactions energy: -44.495 where: short stacking energy: -22.895 Base-Backbone interact. energy: 0.522 local terms energy: -21.283328 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -2.260 flat angles P-C4'-P energy: -1.578 tors. eta vs tors. theta energy: -0.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -60.419701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.419701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.419701 (E_RNA) where: Base-Base interactions energy: -37.605 where: short stacking energy: -22.461 Base-Backbone interact. energy: -0.067 local terms energy: -22.747691 where: bonds (distance) C4'-P energy: -5.111 bonds (distance) P-C4' energy: -6.154 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -2.488 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: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -58.042632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.042632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.042632 (E_RNA) where: Base-Base interactions energy: -30.234 where: short stacking energy: -21.766 Base-Backbone interact. energy: -0.159 local terms energy: -27.649409 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -6.610 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -48.638722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.638722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.638722 (E_RNA) where: Base-Base interactions energy: -26.074 where: short stacking energy: -19.856 Base-Backbone interact. energy: -0.104 local terms energy: -22.460757 where: bonds (distance) C4'-P energy: -6.542 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -3.958 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -117.471926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.471926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.471926 (E_RNA) where: Base-Base interactions energy: -84.019 where: short stacking energy: -31.755 Base-Backbone interact. energy: -0.005 local terms energy: -33.447163 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -6.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -111.040306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.040306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.040306 (E_RNA) where: Base-Base interactions energy: -71.800 where: short stacking energy: -35.881 Base-Backbone interact. energy: -1.301 local terms energy: -37.940003 where: bonds (distance) C4'-P energy: -7.576 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -6.639 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: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -105.235398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.235398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.235398 (E_RNA) where: Base-Base interactions energy: -72.034 where: short stacking energy: -35.975 Base-Backbone interact. energy: -1.024 local terms energy: -32.177562 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.300 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -7.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -76.725868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.725868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.725868 (E_RNA) where: Base-Base interactions energy: -38.237 where: short stacking energy: -38.237 Base-Backbone interact. energy: -0.000 local terms energy: -38.489098 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -6.424 tors. eta vs tors. theta energy: -11.282 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: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -96.458974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.458974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.458974 (E_RNA) where: Base-Base interactions energy: -69.831 where: short stacking energy: -30.814 Base-Backbone interact. energy: -0.361 local terms energy: -26.266529 where: bonds (distance) C4'-P energy: -6.471 bonds (distance) P-C4' energy: -6.185 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -1.865 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: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -59.857805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.857805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.857805 (E_RNA) where: Base-Base interactions energy: -25.725 where: short stacking energy: -25.725 Base-Backbone interact. energy: -0.613 local terms energy: -33.520379 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.976 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -4.798 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: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -63.892362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.892362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.892362 (E_RNA) where: Base-Base interactions energy: -29.660 where: short stacking energy: -29.660 Base-Backbone interact. energy: -0.003 local terms energy: -34.228899 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -4.613 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: 8, replica: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -50.391628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.391628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.391628 (E_RNA) where: Base-Base interactions energy: -25.647 where: short stacking energy: -20.584 Base-Backbone interact. energy: -0.172 local terms energy: -24.572594 where: bonds (distance) C4'-P energy: -3.991 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: 0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -54.862731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.862731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.862731 (E_RNA) where: Base-Base interactions energy: -22.423 where: short stacking energy: -22.423 Base-Backbone interact. energy: -0.018 local terms energy: -32.421410 where: bonds (distance) C4'-P energy: -6.461 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -8.970 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -5.626 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: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -53.381327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.381327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.381327 (E_RNA) where: Base-Base interactions energy: -25.287 where: short stacking energy: -16.551 Base-Backbone interact. energy: -0.029 local terms energy: -28.064990 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -6.556 flat angles C4'-P-C4' energy: -5.297 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -1.684 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: 1, replica: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -113.966121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.966121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.966121 (E_RNA) where: Base-Base interactions energy: -83.954 where: short stacking energy: -34.886 Base-Backbone interact. energy: -0.589 local terms energy: -29.422954 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -1.065 tors. eta vs tors. theta energy: -6.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -106.194505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.194505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.194505 (E_RNA) where: Base-Base interactions energy: -72.504 where: short stacking energy: -35.972 Base-Backbone interact. energy: -1.416 local terms energy: -32.274522 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -110.448108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.448108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.448108 (E_RNA) where: Base-Base interactions energy: -72.653 where: short stacking energy: -37.176 Base-Backbone interact. energy: -1.397 local terms energy: -36.398198 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -6.746 tors. eta vs tors. theta energy: -8.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -105.347330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.347330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.347330 (E_RNA) where: Base-Base interactions energy: -71.137 where: short stacking energy: -35.073 Base-Backbone interact. energy: -0.782 local terms energy: -33.428144 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -7.818 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -8.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -87.883062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.883062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.883062 (E_RNA) where: Base-Base interactions energy: -60.524 where: short stacking energy: -26.761 Base-Backbone interact. energy: -0.510 local terms energy: -26.849158 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -0.597 tors. eta vs tors. theta energy: -4.650 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: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -60.618415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.618415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.618415 (E_RNA) where: Base-Base interactions energy: -35.141 where: short stacking energy: -26.005 Base-Backbone interact. energy: 0.097 local terms energy: -25.574321 where: bonds (distance) C4'-P energy: -0.994 bonds (distance) P-C4' energy: -4.713 flat angles C4'-P-C4' energy: -8.353 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -63.591964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.591964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.591964 (E_RNA) where: Base-Base interactions energy: -30.938 where: short stacking energy: -27.310 Base-Backbone interact. energy: -0.001 local terms energy: -32.653675 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -5.615 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -68.801083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.801083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.801083 (E_RNA) where: Base-Base interactions energy: -33.701 where: short stacking energy: -23.763 Base-Backbone interact. energy: -1.802 local terms energy: -33.298081 where: bonds (distance) C4'-P energy: -6.093 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.920 flat angles P-C4'-P energy: -6.627 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: 9, replica: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -62.902317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.902317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.902317 (E_RNA) where: Base-Base interactions energy: -37.468 where: short stacking energy: -20.988 Base-Backbone interact. energy: -0.014 local terms energy: -25.419780 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -0.845 tors. eta vs tors. theta energy: -2.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -66.523701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.523701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.523701 (E_RNA) where: Base-Base interactions energy: -35.413 where: short stacking energy: -16.646 Base-Backbone interact. energy: -0.001 local terms energy: -31.109365 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -6.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -109.763526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.763526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.763526 (E_RNA) where: Base-Base interactions energy: -68.730 where: short stacking energy: -33.991 Base-Backbone interact. energy: -2.208 local terms energy: -38.825623 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -7.235 tors. eta vs tors. theta energy: -9.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -109.559831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.559831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.559831 (E_RNA) where: Base-Base interactions energy: -80.311 where: short stacking energy: -32.878 Base-Backbone interact. energy: -0.022 local terms energy: -29.226752 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -1.323 tors. eta vs tors. theta energy: -7.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -107.763010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.763010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.763010 (E_RNA) where: Base-Base interactions energy: -70.031 where: short stacking energy: -34.513 Base-Backbone interact. energy: -1.300 local terms energy: -36.431399 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -7.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -103.972571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.972571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.972571 (E_RNA) where: Base-Base interactions energy: -68.792 where: short stacking energy: -36.068 Base-Backbone interact. energy: -1.632 local terms energy: -33.548781 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -7.246 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: 5 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -107.405561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.405561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.405561 (E_RNA) where: Base-Base interactions energy: -83.589 where: short stacking energy: -34.294 Base-Backbone interact. energy: -0.003 local terms energy: -23.813061 where: bonds (distance) C4'-P energy: -5.157 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -0.002 tors. eta vs tors. theta energy: -4.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -66.596233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.596233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.596233 (E_RNA) where: Base-Base interactions energy: -32.060 where: short stacking energy: -30.915 Base-Backbone interact. energy: -0.074 local terms energy: -34.462222 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -7.485 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: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -62.512156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.512156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.512156 (E_RNA) where: Base-Base interactions energy: -34.121 where: short stacking energy: -20.330 Base-Backbone interact. energy: -0.001 local terms energy: -28.390598 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -7.870 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -4.275 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: 8, replica: 8 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -61.395014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.395014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.395014 (E_RNA) where: Base-Base interactions energy: -28.758 where: short stacking energy: -28.758 Base-Backbone interact. energy: -0.154 local terms energy: -32.483025 where: bonds (distance) C4'-P energy: -5.592 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -4.746 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: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -60.684612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.684612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.684612 (E_RNA) where: Base-Base interactions energy: -35.421 where: short stacking energy: -27.884 Base-Backbone interact. energy: -0.413 local terms energy: -24.849904 where: bonds (distance) C4'-P energy: -3.812 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -4.739 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -3.212 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: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -57.689105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.689105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.689105 (E_RNA) where: Base-Base interactions energy: -34.248 where: short stacking energy: -16.045 Base-Backbone interact. energy: -0.019 local terms energy: -23.422224 where: bonds (distance) C4'-P energy: -3.576 bonds (distance) P-C4' energy: -4.724 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -7.581 tors. eta vs tors. theta energy: 0.813 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: 4 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -110.210479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.210479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.210479 (E_RNA) where: Base-Base interactions energy: -69.904 where: short stacking energy: -34.190 Base-Backbone interact. energy: -0.686 local terms energy: -39.621251 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: -7.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -105.655392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.655392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.655392 (E_RNA) where: Base-Base interactions energy: -70.212 where: short stacking energy: -33.647 Base-Backbone interact. energy: -0.421 local terms energy: -35.021989 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -7.268 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -6.502 tors. eta vs tors. theta energy: -7.492 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: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -107.076910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.076910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.076910 (E_RNA) where: Base-Base interactions energy: -69.908 where: short stacking energy: -34.106 Base-Backbone interact. energy: -0.010 local terms energy: -37.158646 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -7.682 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: 4, replica: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -103.485578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.485578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.485578 (E_RNA) where: Base-Base interactions energy: -74.032 where: short stacking energy: -30.204 Base-Backbone interact. energy: -0.007 local terms energy: -29.446821 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -4.852 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -4.750 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: 5, replica: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -101.746078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.746078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.746078 (E_RNA) where: Base-Base interactions energy: -64.922 where: short stacking energy: -29.517 Base-Backbone interact. energy: -0.001 local terms energy: -36.822936 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -9.272 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -7.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -54.520255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.520255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.520255 (E_RNA) where: Base-Base interactions energy: -26.311 where: short stacking energy: -26.311 Base-Backbone interact. energy: -0.078 local terms energy: -28.131525 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.175 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -4.739 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: 7, replica: 10 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -73.419600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.419600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.419600 (E_RNA) where: Base-Base interactions energy: -41.852 where: short stacking energy: -32.210 Base-Backbone interact. energy: -0.000 local terms energy: -31.567067 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -58.859378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.859378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.859378 (E_RNA) where: Base-Base interactions energy: -33.113 where: short stacking energy: -20.230 Base-Backbone interact. energy: -0.035 local terms energy: -25.711283 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: 0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -67.796222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.796222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.796222 (E_RNA) where: Base-Base interactions energy: -41.658 where: short stacking energy: -18.770 Base-Backbone interact. energy: -0.619 local terms energy: -25.519283 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -6.047 tors. eta vs tors. theta energy: 0.505 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: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -73.660373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.660373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.660373 (E_RNA) where: Base-Base interactions energy: -49.996 where: short stacking energy: -20.385 Base-Backbone interact. energy: -1.043 local terms energy: -22.621539 where: bonds (distance) C4'-P energy: -1.847 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -111.439861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.439861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.439861 (E_RNA) where: Base-Base interactions energy: -73.326 where: short stacking energy: -37.312 Base-Backbone interact. energy: 0.241 local terms energy: -38.354321 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -9.104 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: 2, replica: 9 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -106.927528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.927528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.927528 (E_RNA) where: Base-Base interactions energy: -70.391 where: short stacking energy: -35.877 Base-Backbone interact. energy: -1.255 local terms energy: -35.281356 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -7.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -104.156182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.156182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.156182 (E_RNA) where: Base-Base interactions energy: -68.799 where: short stacking energy: -33.398 Base-Backbone interact. energy: -0.397 local terms energy: -34.959667 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -5.581 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: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -98.533939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.533939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.533939 (E_RNA) where: Base-Base interactions energy: -63.517 where: short stacking energy: -27.983 Base-Backbone interact. energy: -0.009 local terms energy: -35.007576 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -9.395 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -4.986 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: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -102.771263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.771263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.771263 (E_RNA) where: Base-Base interactions energy: -69.645 where: short stacking energy: -32.680 Base-Backbone interact. energy: -0.208 local terms energy: -32.918679 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -1.851 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: 6, replica: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -72.805778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.805778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.805778 (E_RNA) where: Base-Base interactions energy: -43.887 where: short stacking energy: -31.276 Base-Backbone interact. energy: -0.000 local terms energy: -28.919040 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -5.845 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -5.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -60.114595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.114595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.114595 (E_RNA) where: Base-Base interactions energy: -40.330 where: short stacking energy: -16.923 Base-Backbone interact. energy: -0.148 local terms energy: -19.636363 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: 3.091 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -68.214524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.214524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.214524 (E_RNA) where: Base-Base interactions energy: -36.331 where: short stacking energy: -34.412 Base-Backbone interact. energy: 1.331 local terms energy: -33.214256 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.399 flat angles P-C4'-P energy: -4.417 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: 9, replica: 6 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -82.816636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.816636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.816636 (E_RNA) where: Base-Base interactions energy: -57.013 where: short stacking energy: -29.452 Base-Backbone interact. energy: 0.203 local terms energy: -26.006338 where: bonds (distance) C4'-P energy: -2.764 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -6.320 tors. eta vs tors. theta energy: -4.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -59.769138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.769138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.769138 (E_RNA) where: Base-Base interactions energy: -27.436 where: short stacking energy: -27.436 Base-Backbone interact. energy: -0.102 local terms energy: -32.230972 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -5.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -111.710711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.710711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.710711 (E_RNA) where: Base-Base interactions energy: -70.586 where: short stacking energy: -34.653 Base-Backbone interact. energy: -1.878 local terms energy: -39.246500 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -7.064 tors. eta vs tors. theta energy: -8.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -105.225211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.225211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.225211 (E_RNA) where: Base-Base interactions energy: -71.344 where: short stacking energy: -36.174 Base-Backbone interact. energy: -0.001 local terms energy: -33.880388 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -4.088 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: 3, replica: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -109.765726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.765726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.765726 (E_RNA) where: Base-Base interactions energy: -71.509 where: short stacking energy: -34.771 Base-Backbone interact. energy: -0.256 local terms energy: -38.000378 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -6.769 tors. eta vs tors. theta energy: -7.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -104.096396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.096396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.096396 (E_RNA) where: Base-Base interactions energy: -66.303 where: short stacking energy: -34.299 Base-Backbone interact. energy: -0.277 local terms energy: -37.516414 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.927 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -6.058 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: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -101.239882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.239882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.239882 (E_RNA) where: Base-Base interactions energy: -65.588 where: short stacking energy: -32.561 Base-Backbone interact. energy: -0.003 local terms energy: -35.649004 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -7.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -75.282178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.282178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.282178 (E_RNA) where: Base-Base interactions energy: -41.874 where: short stacking energy: -37.299 Base-Backbone interact. energy: -0.000 local terms energy: -33.408257 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -9.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -51.792202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.792202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.792202 (E_RNA) where: Base-Base interactions energy: -25.690 where: short stacking energy: -16.304 Base-Backbone interact. energy: -0.001 local terms energy: -26.101718 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -2.083 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: 8, replica: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -56.808991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.808991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.808991 (E_RNA) where: Base-Base interactions energy: -22.296 where: short stacking energy: -22.296 Base-Backbone interact. energy: -0.004 local terms energy: -34.509657 where: bonds (distance) C4'-P energy: -4.909 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -5.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -62.455003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.455003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.455003 (E_RNA) where: Base-Base interactions energy: -35.439 where: short stacking energy: -35.439 Base-Backbone interact. energy: -0.000 local terms energy: -27.016148 where: bonds (distance) C4'-P energy: -4.429 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -6.267 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: 87 Temperature: 1.350000 Total energy: -59.791597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.791597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.791597 (E_RNA) where: Base-Base interactions energy: -32.138 where: short stacking energy: -17.442 Base-Backbone interact. energy: 0.596 local terms energy: -28.249807 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -109.294268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.294268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.294268 (E_RNA) where: Base-Base interactions energy: -71.834 where: short stacking energy: -35.099 Base-Backbone interact. energy: -1.496 local terms energy: -35.964885 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -5.014 tors. eta vs tors. theta energy: -7.969 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: 2, replica: 4 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -105.696415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.696415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.696415 (E_RNA) where: Base-Base interactions energy: -70.537 where: short stacking energy: -34.987 Base-Backbone interact. energy: -0.007 local terms energy: -35.152277 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -7.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -106.860908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.860908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.860908 (E_RNA) where: Base-Base interactions energy: -74.558 where: short stacking energy: -36.181 Base-Backbone interact. energy: 1.911 local terms energy: -34.213835 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -5.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -107.528385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.528385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.528385 (E_RNA) where: Base-Base interactions energy: -74.737 where: short stacking energy: -34.832 Base-Backbone interact. energy: -0.682 local terms energy: -32.109575 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -6.223 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -101.009162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.009162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.009162 (E_RNA) where: Base-Base interactions energy: -65.099 where: short stacking energy: -32.920 Base-Backbone interact. energy: 0.281 local terms energy: -36.190858 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -3.626 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: 6, replica: 1 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -62.374992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.374992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.374992 (E_RNA) where: Base-Base interactions energy: -29.073 where: short stacking energy: -29.073 Base-Backbone interact. energy: -0.000 local terms energy: -33.301524 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -4.607 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: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -76.998398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.998398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.998398 (E_RNA) where: Base-Base interactions energy: -55.145 where: short stacking energy: -23.582 Base-Backbone interact. energy: -0.110 local terms energy: -21.743750 where: bonds (distance) C4'-P energy: -4.726 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -1.063 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: 7 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -57.464477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.464477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.464477 (E_RNA) where: Base-Base interactions energy: -28.078 where: short stacking energy: -28.078 Base-Backbone interact. energy: -0.000 local terms energy: -29.386612 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -4.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -57.668977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.668977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.668977 (E_RNA) where: Base-Base interactions energy: -35.115 where: short stacking energy: -21.703 Base-Backbone interact. energy: -0.003 local terms energy: -22.551499 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -2.764 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: 0.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -51.675969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.675969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.675969 (E_RNA) where: Base-Base interactions energy: -24.579 where: short stacking energy: -24.579 Base-Backbone interact. energy: -0.019 local terms energy: -27.077980 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -110.139923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.139923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.139923 (E_RNA) where: Base-Base interactions energy: -70.737 where: short stacking energy: -35.866 Base-Backbone interact. energy: -1.410 local terms energy: -37.992760 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -8.059 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -7.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -106.994601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.994601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.994601 (E_RNA) where: Base-Base interactions energy: -70.048 where: short stacking energy: -33.285 Base-Backbone interact. energy: -0.007 local terms energy: -36.939763 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.978 flat angles P-C4'-P energy: -2.283 tors. eta vs tors. theta energy: -8.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -106.961834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.961834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.961834 (E_RNA) where: Base-Base interactions energy: -69.387 where: short stacking energy: -33.465 Base-Backbone interact. energy: -0.015 local terms energy: -37.559378 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -6.754 tors. eta vs tors. theta energy: -7.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -105.707717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.707717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.707717 (E_RNA) where: Base-Base interactions energy: -70.195 where: short stacking energy: -35.851 Base-Backbone interact. energy: -1.362 local terms energy: -34.150832 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -4.173 flat angles C4'-P-C4' energy: -8.048 flat angles P-C4'-P energy: -6.693 tors. eta vs tors. theta energy: -8.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -104.841774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.841774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.841774 (E_RNA) where: Base-Base interactions energy: -74.002 where: short stacking energy: -27.872 Base-Backbone interact. energy: -0.055 local terms energy: -30.784347 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -0.162 tors. eta vs tors. theta energy: -7.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -66.566526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.566526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.566526 (E_RNA) where: Base-Base interactions energy: -34.900 where: short stacking energy: -34.900 Base-Backbone interact. energy: -0.100 local terms energy: -31.565867 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -4.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -73.670262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.670262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.670262 (E_RNA) where: Base-Base interactions energy: -48.979 where: short stacking energy: -26.911 Base-Backbone interact. energy: 1.727 local terms energy: -26.418168 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: 0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -51.435461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.435461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.435461 (E_RNA) where: Base-Base interactions energy: -19.960 where: short stacking energy: -19.960 Base-Backbone interact. energy: -0.090 local terms energy: -31.385444 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -2.994 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: 9, replica: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -65.062459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.062459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.062459 (E_RNA) where: Base-Base interactions energy: -35.876 where: short stacking energy: -21.219 Base-Backbone interact. energy: -1.027 local terms energy: -28.160065 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -4.178 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -4.885 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: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -46.703274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.703274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.703274 (E_RNA) where: Base-Base interactions energy: -24.068 where: short stacking energy: -24.068 Base-Backbone interact. energy: -0.041 local terms energy: -22.594229 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -3.253 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: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -108.760581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.760581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.760581 (E_RNA) where: Base-Base interactions energy: -68.285 where: short stacking energy: -33.677 Base-Backbone interact. energy: -1.437 local terms energy: -39.038491 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -7.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -110.048269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.048269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.048269 (E_RNA) where: Base-Base interactions energy: -71.678 where: short stacking energy: -34.785 Base-Backbone interact. energy: -0.975 local terms energy: -37.395194 where: bonds (distance) C4'-P energy: -6.364 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -6.550 tors. eta vs tors. theta energy: -8.749 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: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -104.925705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.925705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.925705 (E_RNA) where: Base-Base interactions energy: -66.056 where: short stacking energy: -32.274 Base-Backbone interact. energy: -1.254 local terms energy: -37.615880 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -9.032 flat angles P-C4'-P energy: -5.826 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: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -105.819802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.819802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.819802 (E_RNA) where: Base-Base interactions energy: -70.587 where: short stacking energy: -35.275 Base-Backbone interact. energy: -0.001 local terms energy: -35.231483 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -7.218 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: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -94.851006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.851006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.851006 (E_RNA) where: Base-Base interactions energy: -63.086 where: short stacking energy: -27.791 Base-Backbone interact. energy: -2.136 local terms energy: -29.628977 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -72.993142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.993142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.993142 (E_RNA) where: Base-Base interactions energy: -35.167 where: short stacking energy: -35.167 Base-Backbone interact. energy: -0.000 local terms energy: -37.826265 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.413 flat angles P-C4'-P energy: -4.776 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: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -78.621818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.621818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.621818 (E_RNA) where: Base-Base interactions energy: -54.648 where: short stacking energy: -19.495 Base-Backbone interact. energy: -0.097 local terms energy: -23.876990 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -5.852 flat angles P-C4'-P energy: -1.543 tors. eta vs tors. theta energy: -3.360 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: 8 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -63.390542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.390542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.390542 (E_RNA) where: Base-Base interactions energy: -33.283 where: short stacking energy: -33.283 Base-Backbone interact. energy: -0.000 local terms energy: -30.106991 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.732 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -3.157 tors. eta vs tors. theta energy: -7.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -59.055915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.055915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.055915 (E_RNA) where: Base-Base interactions energy: -31.062 where: short stacking energy: -21.029 Base-Backbone interact. energy: -0.173 local terms energy: -27.821220 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -6.793 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -47.838282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.838282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.838282 (E_RNA) where: Base-Base interactions energy: -20.522 where: short stacking energy: -16.883 Base-Backbone interact. energy: 1.432 local terms energy: -28.747873 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: 0.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -108.898678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.898678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.898678 (E_RNA) where: Base-Base interactions energy: -69.621 where: short stacking energy: -33.193 Base-Backbone interact. energy: -1.415 local terms energy: -37.861932 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.357 flat angles C4'-P-C4' energy: -8.318 flat angles P-C4'-P energy: -6.803 tors. eta vs tors. theta energy: -7.570 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: 2 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -100.894757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.894757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.894757 (E_RNA) where: Base-Base interactions energy: -67.472 where: short stacking energy: -30.544 Base-Backbone interact. energy: -1.346 local terms energy: -32.076182 where: bonds (distance) C4'-P energy: -5.422 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -6.320 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: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -109.089989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.089989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.089989 (E_RNA) where: Base-Base interactions energy: -70.861 where: short stacking energy: -36.502 Base-Backbone interact. energy: -1.290 local terms energy: -36.939321 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.333 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: -7.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -99.359555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.359555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.359555 (E_RNA) where: Base-Base interactions energy: -65.469 where: short stacking energy: -34.340 Base-Backbone interact. energy: -1.290 local terms energy: -32.600663 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -7.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -105.183464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.183464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.183464 (E_RNA) where: Base-Base interactions energy: -71.721 where: short stacking energy: -36.387 Base-Backbone interact. energy: -0.584 local terms energy: -32.878006 where: bonds (distance) C4'-P energy: -6.234 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -5.839 tors. eta vs tors. theta energy: -6.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -94.234851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.234851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.234851 (E_RNA) where: Base-Base interactions energy: -61.321 where: short stacking energy: -26.669 Base-Backbone interact. energy: -0.059 local terms energy: -32.854403 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.761 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -4.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -62.331677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.331677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.331677 (E_RNA) where: Base-Base interactions energy: -30.815 where: short stacking energy: -30.815 Base-Backbone interact. energy: -0.019 local terms energy: -31.498111 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -5.698 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: 8, replica: 8 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -55.525904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.525904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.525904 (E_RNA) where: Base-Base interactions energy: -22.145 where: short stacking energy: -22.145 Base-Backbone interact. energy: 0.288 local terms energy: -33.668899 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -6.460 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: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -57.391675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.391675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.391675 (E_RNA) where: Base-Base interactions energy: -34.839 where: short stacking energy: -13.805 Base-Backbone interact. energy: -0.062 local terms energy: -22.490056 where: bonds (distance) C4'-P energy: -3.493 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -1.919 tors. eta vs tors. theta energy: -0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -72.205335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.205335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.205335 (E_RNA) where: Base-Base interactions energy: -41.172 where: short stacking energy: -16.909 Base-Backbone interact. energy: -0.129 local terms energy: -30.904069 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -111.750993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.750993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.750993 (E_RNA) where: Base-Base interactions energy: -72.118 where: short stacking energy: -36.900 Base-Backbone interact. energy: -1.376 local terms energy: -38.257076 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -6.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -109.510177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.510177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.510177 (E_RNA) where: Base-Base interactions energy: -69.849 where: short stacking energy: -35.175 Base-Backbone interact. energy: -0.332 local terms energy: -39.329298 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -6.708 tors. eta vs tors. theta energy: -8.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -103.278140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.278140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.278140 (E_RNA) where: Base-Base interactions energy: -65.474 where: short stacking energy: -32.634 Base-Backbone interact. energy: -0.130 local terms energy: -37.674069 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -5.111 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: 4, replica: 9 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -103.441440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.441440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.441440 (E_RNA) where: Base-Base interactions energy: -66.993 where: short stacking energy: -34.481 Base-Backbone interact. energy: -0.742 local terms energy: -35.705501 where: bonds (distance) C4'-P energy: -7.584 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.976 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -6.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -104.342522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.342522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.342522 (E_RNA) where: Base-Base interactions energy: -70.746 where: short stacking energy: -36.519 Base-Backbone interact. energy: -0.961 local terms energy: -32.635712 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -4.641 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: 6, replica: 1 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -90.177318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.177318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.177318 (E_RNA) where: Base-Base interactions energy: -63.402 where: short stacking energy: -25.865 Base-Backbone interact. energy: -0.002 local terms energy: -26.773115 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -0.121 tors. eta vs tors. theta energy: -3.325 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: 8 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -62.934753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.934753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.934753 (E_RNA) where: Base-Base interactions energy: -29.894 where: short stacking energy: -22.662 Base-Backbone interact. energy: -0.397 local terms energy: -32.643848 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -6.169 tors. eta vs tors. theta energy: -1.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -58.713041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.713041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.713041 (E_RNA) where: Base-Base interactions energy: -31.574 where: short stacking energy: -31.307 Base-Backbone interact. energy: -0.001 local terms energy: -27.138678 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -5.242 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -4.035 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: 9, replica: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -47.596905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.596905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.596905 (E_RNA) where: Base-Base interactions energy: -21.116 where: short stacking energy: -15.745 Base-Backbone interact. energy: -0.056 local terms energy: -26.424931 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: 1.347 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: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -48.472708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.472708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.472708 (E_RNA) where: Base-Base interactions energy: -24.357 where: short stacking energy: -24.357 Base-Backbone interact. energy: -0.004 local terms energy: -24.112638 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -3.610 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -110.911824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.911824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.911824 (E_RNA) where: Base-Base interactions energy: -71.914 where: short stacking energy: -36.816 Base-Backbone interact. energy: -1.643 local terms energy: -37.355627 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.149 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -6.676 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: 2, replica: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -99.812568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.812568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.812568 (E_RNA) where: Base-Base interactions energy: -72.289 where: short stacking energy: -26.344 Base-Backbone interact. energy: 0.038 local terms energy: -27.561545 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -8.425 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -1.092 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: 93 Temperature: 1.000000 Total energy: -108.656651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.656651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.656651 (E_RNA) where: Base-Base interactions energy: -72.076 where: short stacking energy: -36.169 Base-Backbone interact. energy: -1.531 local terms energy: -35.049011 where: bonds (distance) C4'-P energy: -7.182 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -4.709 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: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -103.814125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.814125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.814125 (E_RNA) where: Base-Base interactions energy: -67.763 where: short stacking energy: -32.909 Base-Backbone interact. energy: 0.199 local terms energy: -36.250345 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.304 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -6.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -107.118122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.118122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.118122 (E_RNA) where: Base-Base interactions energy: -70.370 where: short stacking energy: -36.737 Base-Backbone interact. energy: -1.542 local terms energy: -35.205539 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -7.167 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: 1 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -98.910605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.910605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.910605 (E_RNA) where: Base-Base interactions energy: -65.002 where: short stacking energy: -31.642 Base-Backbone interact. energy: -0.757 local terms energy: -33.151386 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -6.814 tors. eta vs tors. theta energy: -6.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -60.154372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.154372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.154372 (E_RNA) where: Base-Base interactions energy: -32.400 where: short stacking energy: -32.400 Base-Backbone interact. energy: -0.015 local terms energy: -27.739341 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -3.266 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -53.562403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.562403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.562403 (E_RNA) where: Base-Base interactions energy: -30.355 where: short stacking energy: -29.868 Base-Backbone interact. energy: -0.002 local terms energy: -23.205704 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -3.072 flat angles P-C4'-P energy: -0.719 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -50.847404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.847404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.847404 (E_RNA) where: Base-Base interactions energy: -19.837 where: short stacking energy: -15.325 Base-Backbone interact. energy: -0.102 local terms energy: -30.907655 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -54.220787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.220787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.220787 (E_RNA) where: Base-Base interactions energy: -27.841 where: short stacking energy: -24.799 Base-Backbone interact. energy: -0.028 local terms energy: -26.351628 where: bonds (distance) C4'-P energy: -3.531 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -3.384 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: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -109.915924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.915924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.915924 (E_RNA) where: Base-Base interactions energy: -73.491 where: short stacking energy: -37.266 Base-Backbone interact. energy: -1.492 local terms energy: -34.932818 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -8.193 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: 2, replica: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -91.850911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.850911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.850911 (E_RNA) where: Base-Base interactions energy: -55.825 where: short stacking energy: -30.479 Base-Backbone interact. energy: -0.721 local terms energy: -35.305060 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -3.348 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: 3, replica: 3 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -106.744630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.744630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.744630 (E_RNA) where: Base-Base interactions energy: -75.214 where: short stacking energy: -33.832 Base-Backbone interact. energy: -0.531 local terms energy: -30.999544 where: bonds (distance) C4'-P energy: -2.789 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -103.241105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.241105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.241105 (E_RNA) where: Base-Base interactions energy: -69.932 where: short stacking energy: -36.936 Base-Backbone interact. energy: -0.484 local terms energy: -32.825170 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -6.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -99.204090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.204090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.204090 (E_RNA) where: Base-Base interactions energy: -67.182 where: short stacking energy: -35.148 Base-Backbone interact. energy: -0.643 local terms energy: -31.379373 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -4.702 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: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -88.276137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.276137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.276137 (E_RNA) where: Base-Base interactions energy: -60.360 where: short stacking energy: -28.860 Base-Backbone interact. energy: 0.266 local terms energy: -28.182505 where: bonds (distance) C4'-P energy: -5.912 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -2.149 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: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -65.026141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.026141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.026141 (E_RNA) where: Base-Base interactions energy: -31.336 where: short stacking energy: -31.336 Base-Backbone interact. energy: -0.000 local terms energy: -33.690022 where: bonds (distance) C4'-P energy: -6.329 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.758 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -7.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -55.823064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.823064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.823064 (E_RNA) where: Base-Base interactions energy: -19.584 where: short stacking energy: -20.191 Base-Backbone interact. energy: -0.046 local terms energy: -36.192753 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -58.557202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.557202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.557202 (E_RNA) where: Base-Base interactions energy: -21.886 where: short stacking energy: -21.886 Base-Backbone interact. energy: -0.000 local terms energy: -36.670901 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -9.173 flat angles P-C4'-P energy: -4.373 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: 10, replica: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -45.906310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.906310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.906310 (E_RNA) where: Base-Base interactions energy: -19.408 where: short stacking energy: -19.408 Base-Backbone interact. energy: -0.000 local terms energy: -26.497968 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -6.000 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -1.556 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: 1, replica: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -107.203413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.203413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.203413 (E_RNA) where: Base-Base interactions energy: -70.107 where: short stacking energy: -34.851 Base-Backbone interact. energy: -0.858 local terms energy: -36.239228 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -5.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -109.824412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.824412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.824412 (E_RNA) where: Base-Base interactions energy: -75.131 where: short stacking energy: -31.755 Base-Backbone interact. energy: -0.029 local terms energy: -34.664244 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -7.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -97.130778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.130778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.130778 (E_RNA) where: Base-Base interactions energy: -59.338 where: short stacking energy: -33.314 Base-Backbone interact. energy: -0.038 local terms energy: -37.754867 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -6.479 tors. eta vs tors. theta energy: -7.682 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: 4, replica: 9 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -108.803439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.803439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.803439 (E_RNA) where: Base-Base interactions energy: -80.379 where: short stacking energy: -28.047 Base-Backbone interact. energy: -0.038 local terms energy: -28.387025 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.106 flat angles P-C4'-P energy: -2.186 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -96.787640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.787640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.787640 (E_RNA) where: Base-Base interactions energy: -64.409 where: short stacking energy: -30.890 Base-Backbone interact. energy: 0.263 local terms energy: -32.641628 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -6.958 tors. eta vs tors. theta energy: -5.580 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: 1 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -66.645613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.645613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.645613 (E_RNA) where: Base-Base interactions energy: -35.166 where: short stacking energy: -21.752 Base-Backbone interact. energy: -0.045 local terms energy: -31.434227 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -60.422238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.422238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.422238 (E_RNA) where: Base-Base interactions energy: -29.477 where: short stacking energy: -29.477 Base-Backbone interact. energy: -0.000 local terms energy: -30.944667 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -53.530117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.530117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.530117 (E_RNA) where: Base-Base interactions energy: -24.643 where: short stacking energy: -24.643 Base-Backbone interact. energy: -0.000 local terms energy: -28.887249 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -48.788154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.788154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.788154 (E_RNA) where: Base-Base interactions energy: -24.195 where: short stacking energy: -24.195 Base-Backbone interact. energy: -0.282 local terms energy: -24.311723 where: bonds (distance) C4'-P energy: -3.540 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.581 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: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -49.410688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.410688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.410688 (E_RNA) where: Base-Base interactions energy: -23.474 where: short stacking energy: -19.594 Base-Backbone interact. energy: -0.145 local terms energy: -25.791322 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -5.924 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -3.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -113.082236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.082236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.082236 (E_RNA) where: Base-Base interactions energy: -71.479 where: short stacking energy: -34.840 Base-Backbone interact. energy: -1.641 local terms energy: -39.962580 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.070 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -8.173 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: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -108.928294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.928294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.928294 (E_RNA) where: Base-Base interactions energy: -72.938 where: short stacking energy: -36.360 Base-Backbone interact. energy: -0.995 local terms energy: -34.995380 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -5.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -114.775138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.775138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.775138 (E_RNA) where: Base-Base interactions energy: -84.956 where: short stacking energy: -33.197 Base-Backbone interact. energy: -0.088 local terms energy: -29.730791 where: bonds (distance) C4'-P energy: -7.310 bonds (distance) P-C4' energy: -9.048 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -0.043 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: 4, replica: 5 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -104.537049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.537049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.537049 (E_RNA) where: Base-Base interactions energy: -68.854 where: short stacking energy: -34.944 Base-Backbone interact. energy: -0.184 local terms energy: -35.498597 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -7.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -63.148788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.148788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.148788 (E_RNA) where: Base-Base interactions energy: -35.098 where: short stacking energy: -35.098 Base-Backbone interact. energy: -0.002 local terms energy: -28.048800 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -2.877 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: -7.767 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: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -99.131811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.131811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.131811 (E_RNA) where: Base-Base interactions energy: -63.331 where: short stacking energy: -35.022 Base-Backbone interact. energy: -0.014 local terms energy: -35.786678 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -6.063 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: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -60.357696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.357696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.357696 (E_RNA) where: Base-Base interactions energy: -25.328 where: short stacking energy: -25.328 Base-Backbone interact. energy: -0.217 local terms energy: -34.813262 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -58.246038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.246038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.246038 (E_RNA) where: Base-Base interactions energy: -26.905 where: short stacking energy: -23.527 Base-Backbone interact. energy: -0.181 local terms energy: -31.160103 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -56.711476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.711476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.711476 (E_RNA) where: Base-Base interactions energy: -27.144 where: short stacking energy: -27.144 Base-Backbone interact. energy: -0.055 local terms energy: -29.513078 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -5.651 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: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -91.838634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.838634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.838634 (E_RNA) where: Base-Base interactions energy: -66.094 where: short stacking energy: -32.338 Base-Backbone interact. energy: -0.000 local terms energy: -25.743825 where: bonds (distance) C4'-P energy: -3.080 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -0.949 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: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -109.258396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.258396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.258396 (E_RNA) where: Base-Base interactions energy: -72.708 where: short stacking energy: -35.850 Base-Backbone interact. energy: -1.351 local terms energy: -35.199436 where: bonds (distance) C4'-P energy: -7.778 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -6.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -116.240180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.240180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.240180 (E_RNA) where: Base-Base interactions energy: -88.147 where: short stacking energy: -36.787 Base-Backbone interact. energy: -0.088 local terms energy: -28.005360 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -0.109 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: 3, replica: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -106.104737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.104737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.104737 (E_RNA) where: Base-Base interactions energy: -75.098 where: short stacking energy: -36.230 Base-Backbone interact. energy: -0.052 local terms energy: -30.954498 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -2.768 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: 4, replica: 5 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -105.891776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.891776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.891776 (E_RNA) where: Base-Base interactions energy: -71.521 where: short stacking energy: -35.597 Base-Backbone interact. energy: -1.077 local terms energy: -33.293840 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -7.949 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: 1 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -69.276819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.276819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.276819 (E_RNA) where: Base-Base interactions energy: -43.612 where: short stacking energy: -30.097 Base-Backbone interact. energy: 0.300 local terms energy: -25.965216 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -5.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -96.799625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.799625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.799625 (E_RNA) where: Base-Base interactions energy: -65.278 where: short stacking energy: -31.477 Base-Backbone interact. energy: -0.027 local terms energy: -31.494698 where: bonds (distance) C4'-P energy: -5.157 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.639 flat angles P-C4'-P energy: -2.838 tors. eta vs tors. theta energy: -8.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -65.249657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.249657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.249657 (E_RNA) where: Base-Base interactions energy: -36.382 where: short stacking energy: -21.958 Base-Backbone interact. energy: -0.022 local terms energy: -28.845922 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -1.848 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: 8, replica: 7 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -54.875764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.875764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.875764 (E_RNA) where: Base-Base interactions energy: -25.156 where: short stacking energy: -23.041 Base-Backbone interact. energy: -0.186 local terms energy: -29.534156 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -9.113 flat angles P-C4'-P energy: -2.567 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -50.388754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.388754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.388754 (E_RNA) where: Base-Base interactions energy: -22.256 where: short stacking energy: -10.035 Base-Backbone interact. energy: -0.057 local terms energy: -28.075091 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: 0.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -63.456731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.456731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.456731 (E_RNA) where: Base-Base interactions energy: -34.584 where: short stacking energy: -29.498 Base-Backbone interact. energy: -0.093 local terms energy: -28.779931 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -118.304370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.304370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.304370 (E_RNA) where: Base-Base interactions energy: -86.480 where: short stacking energy: -34.533 Base-Backbone interact. energy: -0.009 local terms energy: -31.815823 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -2.130 tors. eta vs tors. theta energy: -6.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -109.524605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.524605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.524605 (E_RNA) where: Base-Base interactions energy: -72.931 where: short stacking energy: -36.385 Base-Backbone interact. energy: -1.145 local terms energy: -35.448693 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -6.488 tors. eta vs tors. theta energy: -7.413 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: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -106.164731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.164731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.164731 (E_RNA) where: Base-Base interactions energy: -70.133 where: short stacking energy: -34.951 Base-Backbone interact. energy: -0.156 local terms energy: -35.875469 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.724 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -7.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -103.138858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.138858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.138858 (E_RNA) where: Base-Base interactions energy: -68.835 where: short stacking energy: -36.095 Base-Backbone interact. energy: -0.014 local terms energy: -34.290279 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -7.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -84.462482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.462482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.462482 (E_RNA) where: Base-Base interactions energy: -50.261 where: short stacking energy: -27.816 Base-Backbone interact. energy: -0.119 local terms energy: -34.081884 where: bonds (distance) C4'-P energy: -6.173 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: -6.845 tors. eta vs tors. theta energy: -7.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -64.780847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.780847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.780847 (E_RNA) where: Base-Base interactions energy: -30.291 where: short stacking energy: -30.291 Base-Backbone interact. energy: -0.008 local terms energy: -34.482331 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -6.973 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -5.823 tors. eta vs tors. theta energy: -5.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -52.355762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.355762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.355762 (E_RNA) where: Base-Base interactions energy: -23.703 where: short stacking energy: -15.838 Base-Backbone interact. energy: -0.001 local terms energy: -28.651603 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -5.844 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: 8, replica: 10 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -63.881764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.881764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.881764 (E_RNA) where: Base-Base interactions energy: -43.111 where: short stacking energy: -7.181 Base-Backbone interact. energy: -0.002 local terms energy: -20.768869 where: bonds (distance) C4'-P energy: -5.654 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -2.005 flat angles P-C4'-P energy: -4.907 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: 9, replica: 6 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -58.632674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.632674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.632674 (E_RNA) where: Base-Base interactions energy: -31.470 where: short stacking energy: -13.220 Base-Backbone interact. energy: 0.055 local terms energy: -27.218341 where: bonds (distance) C4'-P energy: -4.553 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -3.539 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: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -60.283144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.283144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.283144 (E_RNA) where: Base-Base interactions energy: -35.563 where: short stacking energy: -16.756 Base-Backbone interact. energy: -0.014 local terms energy: -24.705484 where: bonds (distance) C4'-P energy: -5.523 bonds (distance) P-C4' energy: -7.213 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -116.280116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.280116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.280116 (E_RNA) where: Base-Base interactions energy: -83.165 where: short stacking energy: -33.791 Base-Backbone interact. energy: -0.039 local terms energy: -33.075724 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -5.888 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: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -105.946158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.946158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.946158 (E_RNA) where: Base-Base interactions energy: -72.707 where: short stacking energy: -37.634 Base-Backbone interact. energy: -0.521 local terms energy: -32.718260 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -6.529 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: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -102.439522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.439522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.439522 (E_RNA) where: Base-Base interactions energy: -64.780 where: short stacking energy: -24.503 Base-Backbone interact. energy: -0.685 local terms energy: -36.974255 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -6.022 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: 4, replica: 2 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -99.168259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.168259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.168259 (E_RNA) where: Base-Base interactions energy: -68.496 where: short stacking energy: -33.887 Base-Backbone interact. energy: -0.266 local terms energy: -30.406089 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -5.409 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: 5, replica: 4 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -89.529778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.529778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.529778 (E_RNA) where: Base-Base interactions energy: -56.343 where: short stacking energy: -29.461 Base-Backbone interact. energy: -0.088 local terms energy: -33.098772 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.568 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -3.474 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: 6, replica: 7 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -73.454906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.454906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.454906 (E_RNA) where: Base-Base interactions energy: -38.434 where: short stacking energy: -38.434 Base-Backbone interact. energy: -0.000 local terms energy: -35.020414 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -4.119 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: 7, replica: 1 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -62.186975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.186975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.186975 (E_RNA) where: Base-Base interactions energy: -28.969 where: short stacking energy: -24.915 Base-Backbone interact. energy: -0.001 local terms energy: -33.217118 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -9.118 flat angles P-C4'-P energy: -5.291 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -61.584323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.584323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.584323 (E_RNA) where: Base-Base interactions energy: -30.922 where: short stacking energy: -30.922 Base-Backbone interact. energy: -0.000 local terms energy: -30.661792 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -6.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -67.236114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.236114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.236114 (E_RNA) where: Base-Base interactions energy: -39.462 where: short stacking energy: -20.821 Base-Backbone interact. energy: -0.081 local terms energy: -27.692938 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -1.551 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -54.712966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.712966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.712966 (E_RNA) where: Base-Base interactions energy: -24.757 where: short stacking energy: -24.757 Base-Backbone interact. energy: -0.047 local terms energy: -29.909342 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -5.228 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -4.746 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: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -115.183718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.183718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.183718 (E_RNA) where: Base-Base interactions energy: -83.579 where: short stacking energy: -34.175 Base-Backbone interact. energy: -0.059 local terms energy: -31.545354 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -6.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -105.499139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.499139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.499139 (E_RNA) where: Base-Base interactions energy: -68.391 where: short stacking energy: -36.052 Base-Backbone interact. energy: -0.531 local terms energy: -36.576863 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -6.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -98.680129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.680129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.680129 (E_RNA) where: Base-Base interactions energy: -66.015 where: short stacking energy: -30.633 Base-Backbone interact. energy: -0.555 local terms energy: -32.109608 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -105.850861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.850861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.850861 (E_RNA) where: Base-Base interactions energy: -65.897 where: short stacking energy: -35.514 Base-Backbone interact. energy: -1.417 local terms energy: -38.537266 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -5.864 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: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -64.757339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.757339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.757339 (E_RNA) where: Base-Base interactions energy: -36.805 where: short stacking energy: -22.737 Base-Backbone interact. energy: -0.002 local terms energy: -27.950944 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -1.025 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: 100 Temperature: 1.150000 Total energy: -102.898219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.898219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.898219 (E_RNA) where: Base-Base interactions energy: -75.663 where: short stacking energy: -34.052 Base-Backbone interact. energy: -0.478 local terms energy: -26.757501 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -1.989 tors. eta vs tors. theta energy: -5.708 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: 6 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -62.829939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.829939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.829939 (E_RNA) where: Base-Base interactions energy: -27.298 where: short stacking energy: -27.298 Base-Backbone interact. energy: -0.000 local terms energy: -35.531871 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -6.791 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: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -51.035591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.035591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.035591 (E_RNA) where: Base-Base interactions energy: -27.700 where: short stacking energy: -27.700 Base-Backbone interact. energy: -0.002 local terms energy: -23.333648 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -3.495 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -62.119509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.119509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.119509 (E_RNA) where: Base-Base interactions energy: -26.182 where: short stacking energy: -26.182 Base-Backbone interact. energy: -0.000 local terms energy: -35.937720 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -7.540 tors. eta vs tors. theta energy: -5.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -47.259981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.259981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.259981 (E_RNA) where: Base-Base interactions energy: -19.853 where: short stacking energy: -19.853 Base-Backbone interact. energy: -0.040 local terms energy: -27.366786 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: 0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -110.942079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.942079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.942079 (E_RNA) where: Base-Base interactions energy: -80.525 where: short stacking energy: -35.820 Base-Backbone interact. energy: -0.060 local terms energy: -30.356949 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.658 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -2.345 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: 2, replica: 2 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -105.826299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.826299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.826299 (E_RNA) where: Base-Base interactions energy: -71.702 where: short stacking energy: -34.371 Base-Backbone interact. energy: -0.241 local terms energy: -33.884059 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -4.961 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: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -106.008839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.008839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.008839 (E_RNA) where: Base-Base interactions energy: -68.087 where: short stacking energy: -34.535 Base-Backbone interact. energy: -0.934 local terms energy: -36.988041 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -6.296 tors. eta vs tors. theta energy: -7.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -76.009056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.009056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.009056 (E_RNA) where: Base-Base interactions energy: -43.908 where: short stacking energy: -26.332 Base-Backbone interact. energy: 0.361 local terms energy: -32.461668 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -6.096 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -104.247912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.247912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.247912 (E_RNA) where: Base-Base interactions energy: -77.609 where: short stacking energy: -26.106 Base-Backbone interact. energy: -0.711 local terms energy: -25.927562 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: 1.227 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -90.692409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.692409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.692409 (E_RNA) where: Base-Base interactions energy: -63.916 where: short stacking energy: -27.684 Base-Backbone interact. energy: -0.002 local terms energy: -26.774415 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -4.143 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -5.155 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: 6 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -59.298677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.298677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.298677 (E_RNA) where: Base-Base interactions energy: -28.920 where: short stacking energy: -25.303 Base-Backbone interact. energy: -0.001 local terms energy: -30.377646 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -3.516 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: 8 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -49.951226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.951226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.951226 (E_RNA) where: Base-Base interactions energy: -26.578 where: short stacking energy: -20.190 Base-Backbone interact. energy: -0.025 local terms energy: -23.348239 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -1.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -47.222717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.222717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.222717 (E_RNA) where: Base-Base interactions energy: -18.961 where: short stacking energy: -18.961 Base-Backbone interact. energy: -0.067 local terms energy: -28.194180 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -4.812 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: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -51.309677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.309677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.309677 (E_RNA) where: Base-Base interactions energy: -21.057 where: short stacking energy: -21.057 Base-Backbone interact. energy: -0.003 local terms energy: -30.249348 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.250 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -6.183 tors. eta vs tors. theta energy: -5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -107.052103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.052103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.052103 (E_RNA) where: Base-Base interactions energy: -70.619 where: short stacking energy: -35.915 Base-Backbone interact. energy: -0.003 local terms energy: -36.429661 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -9.129 flat angles P-C4'-P energy: -4.839 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: 2, replica: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -107.782524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.782524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.782524 (E_RNA) where: Base-Base interactions energy: -71.105 where: short stacking energy: -35.655 Base-Backbone interact. energy: -1.257 local terms energy: -35.420701 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.325 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -6.421 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -75.300380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.300380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.300380 (E_RNA) where: Base-Base interactions energy: -36.217 where: short stacking energy: -36.217 Base-Backbone interact. energy: -0.006 local terms energy: -39.077599 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -8.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -105.841524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.841524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.841524 (E_RNA) where: Base-Base interactions energy: -68.745 where: short stacking energy: -36.467 Base-Backbone interact. energy: -1.714 local terms energy: -35.383083 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -5.661 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: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -106.331787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.331787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.331787 (E_RNA) where: Base-Base interactions energy: -73.816 where: short stacking energy: -31.460 Base-Backbone interact. energy: -0.082 local terms energy: -32.433759 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -5.395 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: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -63.704520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.704520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.704520 (E_RNA) where: Base-Base interactions energy: -32.148 where: short stacking energy: -27.569 Base-Backbone interact. energy: -0.001 local terms energy: -31.555241 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -5.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -88.323608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.323608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.323608 (E_RNA) where: Base-Base interactions energy: -56.899 where: short stacking energy: -28.070 Base-Backbone interact. energy: -0.015 local terms energy: -31.409977 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -4.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -57.677606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.677606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.677606 (E_RNA) where: Base-Base interactions energy: -30.813 where: short stacking energy: -20.013 Base-Backbone interact. energy: -0.046 local terms energy: -26.818086 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -4.766 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -5.701 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: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -55.821027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.821027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.821027 (E_RNA) where: Base-Base interactions energy: -23.078 where: short stacking energy: -23.078 Base-Backbone interact. energy: -0.000 local terms energy: -32.743115 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -5.026 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: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -55.588312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.588312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.588312 (E_RNA) where: Base-Base interactions energy: -23.703 where: short stacking energy: -23.703 Base-Backbone interact. energy: -0.067 local terms energy: -31.818063 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -4.782 flat angles C4'-P-C4' energy: -8.862 flat angles P-C4'-P energy: -6.312 tors. eta vs tors. theta energy: -3.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -107.312444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.312444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.312444 (E_RNA) where: Base-Base interactions energy: -73.113 where: short stacking energy: -38.538 Base-Backbone interact. energy: -0.012 local terms energy: -34.187808 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -2.584 tors. eta vs tors. theta energy: -6.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -78.791308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.791308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.791308 (E_RNA) where: Base-Base interactions energy: -41.919 where: short stacking energy: -41.919 Base-Backbone interact. energy: -0.018 local terms energy: -36.853670 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -7.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -104.975597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.975597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.975597 (E_RNA) where: Base-Base interactions energy: -69.240 where: short stacking energy: -31.737 Base-Backbone interact. energy: -1.674 local terms energy: -34.061420 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -6.446 tors. eta vs tors. theta energy: -6.620 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: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -108.133270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.133270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.133270 (E_RNA) where: Base-Base interactions energy: -77.637 where: short stacking energy: -31.209 Base-Backbone interact. energy: -0.039 local terms energy: -30.458059 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -9.175 flat angles P-C4'-P energy: 0.107 tors. eta vs tors. theta energy: -7.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -104.948695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.948695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.948695 (E_RNA) where: Base-Base interactions energy: -66.642 where: short stacking energy: -34.818 Base-Backbone interact. energy: 0.055 local terms energy: -38.361664 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -7.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -73.837064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.837064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.837064 (E_RNA) where: Base-Base interactions energy: -44.103 where: short stacking energy: -28.518 Base-Backbone interact. energy: -0.007 local terms energy: -29.727808 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -6.849 flat angles C4'-P-C4' energy: -8.798 flat angles P-C4'-P energy: -4.010 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: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -71.167957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.167957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.167957 (E_RNA) where: Base-Base interactions energy: -42.164 where: short stacking energy: -35.543 Base-Backbone interact. energy: 2.199 local terms energy: -31.202933 where: bonds (distance) C4'-P energy: -2.363 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -8.353 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -7.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -57.870810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.870810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.870810 (E_RNA) where: Base-Base interactions energy: -25.340 where: short stacking energy: -22.391 Base-Backbone interact. energy: -0.010 local terms energy: -32.521282 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -57.119706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.119706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.119706 (E_RNA) where: Base-Base interactions energy: -25.118 where: short stacking energy: -15.730 Base-Backbone interact. energy: 0.127 local terms energy: -32.129426 where: bonds (distance) C4'-P energy: -8.838 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -46.876273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.876273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.876273 (E_RNA) where: Base-Base interactions energy: -18.748 where: short stacking energy: -18.748 Base-Backbone interact. energy: -0.081 local terms energy: -28.046937 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -8.747 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -3.338 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: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -80.913148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.913148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.913148 (E_RNA) where: Base-Base interactions energy: -41.846 where: short stacking energy: -41.846 Base-Backbone interact. energy: -0.000 local terms energy: -39.067078 where: bonds (distance) C4'-P energy: -9.269 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -3.291 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: 2, replica: 9 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -110.600036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.600036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.600036 (E_RNA) where: Base-Base interactions energy: -76.387 where: short stacking energy: -31.752 Base-Backbone interact. energy: -0.212 local terms energy: -34.000937 where: bonds (distance) C4'-P energy: -7.484 bonds (distance) P-C4' energy: -6.781 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -7.182 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: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -107.581038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.581038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.581038 (E_RNA) where: Base-Base interactions energy: -70.667 where: short stacking energy: -33.528 Base-Backbone interact. energy: -0.728 local terms energy: -36.186182 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -8.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -104.445914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.445914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.445914 (E_RNA) where: Base-Base interactions energy: -65.893 where: short stacking energy: -32.744 Base-Backbone interact. energy: -0.000 local terms energy: -38.552263 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -8.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -100.969141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.969141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.969141 (E_RNA) where: Base-Base interactions energy: -68.826 where: short stacking energy: -28.374 Base-Backbone interact. energy: -0.181 local terms energy: -31.962817 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -7.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -63.139897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.139897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.139897 (E_RNA) where: Base-Base interactions energy: -32.972 where: short stacking energy: -25.318 Base-Backbone interact. energy: 0.559 local terms energy: -30.726467 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -2.746 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: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -63.737315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.737315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.737315 (E_RNA) where: Base-Base interactions energy: -36.298 where: short stacking energy: -23.263 Base-Backbone interact. energy: -0.051 local terms energy: -27.388558 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -6.492 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -3.863 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: 8, replica: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -51.405066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.405066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.405066 (E_RNA) where: Base-Base interactions energy: -21.746 where: short stacking energy: -21.746 Base-Backbone interact. energy: -0.010 local terms energy: -29.649097 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -1.276 tors. eta vs tors. theta energy: -4.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -55.917212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.917212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.917212 (E_RNA) where: Base-Base interactions energy: -22.828 where: short stacking energy: -22.828 Base-Backbone interact. energy: -0.002 local terms energy: -33.087647 where: bonds (distance) C4'-P energy: -4.127 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -5.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -53.295233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.295233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.295233 (E_RNA) where: Base-Base interactions energy: -21.168 where: short stacking energy: -21.168 Base-Backbone interact. energy: -0.001 local terms energy: -32.126867 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -78.870836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.870836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.870836 (E_RNA) where: Base-Base interactions energy: -37.882 where: short stacking energy: -37.882 Base-Backbone interact. energy: -0.000 local terms energy: -40.988619 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -7.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -108.506314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.506314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.506314 (E_RNA) where: Base-Base interactions energy: -69.643 where: short stacking energy: -34.360 Base-Backbone interact. energy: -0.139 local terms energy: -38.724060 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.583 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -7.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -105.765944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.765944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.765944 (E_RNA) where: Base-Base interactions energy: -67.014 where: short stacking energy: -31.686 Base-Backbone interact. energy: -0.007 local terms energy: -38.745329 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -5.267 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: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -101.697843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.697843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.697843 (E_RNA) where: Base-Base interactions energy: -66.731 where: short stacking energy: -34.369 Base-Backbone interact. energy: -0.000 local terms energy: -34.966153 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -7.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -100.533090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.533090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.533090 (E_RNA) where: Base-Base interactions energy: -66.152 where: short stacking energy: -30.883 Base-Backbone interact. energy: -0.058 local terms energy: -34.322411 where: bonds (distance) C4'-P energy: -5.399 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -6.572 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: 10 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -58.128129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.128129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.128129 (E_RNA) where: Base-Base interactions energy: -24.603 where: short stacking energy: -24.603 Base-Backbone interact. energy: -0.000 local terms energy: -33.524707 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -69.277270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.277270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.277270 (E_RNA) where: Base-Base interactions energy: -40.459 where: short stacking energy: -22.962 Base-Backbone interact. energy: -0.485 local terms energy: -28.332744 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -2.876 tors. eta vs tors. theta energy: -5.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -60.016238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.016238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.016238 (E_RNA) where: Base-Base interactions energy: -37.281 where: short stacking energy: -25.678 Base-Backbone interact. energy: -0.021 local terms energy: -22.714500 where: bonds (distance) C4'-P energy: -5.530 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -2.114 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -59.735106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.735106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.735106 (E_RNA) where: Base-Base interactions energy: -25.512 where: short stacking energy: -25.512 Base-Backbone interact. energy: -0.013 local terms energy: -34.209985 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -48.670057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.670057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.670057 (E_RNA) where: Base-Base interactions energy: -23.391 where: short stacking energy: -23.391 Base-Backbone interact. energy: -0.010 local terms energy: -25.269349 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -6.188 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.600 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: 1, replica: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -107.569242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.569242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.569242 (E_RNA) where: Base-Base interactions energy: -75.038 where: short stacking energy: -33.847 Base-Backbone interact. energy: -0.075 local terms energy: -32.455598 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -1.951 tors. eta vs tors. theta energy: -7.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -79.506286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.506286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.506286 (E_RNA) where: Base-Base interactions energy: -39.723 where: short stacking energy: -39.723 Base-Backbone interact. energy: -0.000 local terms energy: -39.783603 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -6.665 tors. eta vs tors. theta energy: -8.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -104.933590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.933590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.933590 (E_RNA) where: Base-Base interactions energy: -74.684 where: short stacking energy: -32.606 Base-Backbone interact. energy: 0.130 local terms energy: -30.379232 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -6.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -96.517041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.517041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.517041 (E_RNA) where: Base-Base interactions energy: -64.860 where: short stacking energy: -29.373 Base-Backbone interact. energy: -0.924 local terms energy: -30.733012 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -103.464430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.464430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.464430 (E_RNA) where: Base-Base interactions energy: -64.505 where: short stacking energy: -34.333 Base-Backbone interact. energy: -0.121 local terms energy: -38.838497 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -5.530 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: 6, replica: 10 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -79.241417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.241417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.241417 (E_RNA) where: Base-Base interactions energy: -44.897 where: short stacking energy: -29.707 Base-Backbone interact. energy: -0.001 local terms energy: -34.344013 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -7.943 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: 1 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -61.634056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.634056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.634056 (E_RNA) where: Base-Base interactions energy: -27.723 where: short stacking energy: -27.723 Base-Backbone interact. energy: -0.012 local terms energy: -33.898781 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.657 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -6.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -53.457342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.457342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.457342 (E_RNA) where: Base-Base interactions energy: -24.171 where: short stacking energy: -24.171 Base-Backbone interact. energy: -0.176 local terms energy: -29.110246 where: bonds (distance) C4'-P energy: -5.014 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -2.989 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: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -61.903775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.903775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.903775 (E_RNA) where: Base-Base interactions energy: -29.132 where: short stacking energy: -29.132 Base-Backbone interact. energy: -0.008 local terms energy: -32.764247 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -5.592 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: 10, replica: 4 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -64.323941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.323941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.323941 (E_RNA) where: Base-Base interactions energy: -35.008 where: short stacking energy: -35.008 Base-Backbone interact. energy: -0.001 local terms energy: -29.315558 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -9.011 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: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -110.278157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.278157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.278157 (E_RNA) where: Base-Base interactions energy: -72.716 where: short stacking energy: -29.587 Base-Backbone interact. energy: -0.070 local terms energy: -37.492656 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -8.855 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: 2, replica: 5 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -115.742752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.742752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.742752 (E_RNA) where: Base-Base interactions energy: -81.230 where: short stacking energy: -35.584 Base-Backbone interact. energy: -0.189 local terms energy: -34.323889 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -4.499 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: 3, replica: 7 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -66.217014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.217014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.217014 (E_RNA) where: Base-Base interactions energy: -33.016 where: short stacking energy: -33.016 Base-Backbone interact. energy: -0.004 local terms energy: -33.197414 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -5.690 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: 107 Temperature: 1.050000 Total energy: -109.451805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.451805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.451805 (E_RNA) where: Base-Base interactions energy: -78.312 where: short stacking energy: -30.692 Base-Backbone interact. energy: -0.348 local terms energy: -30.791579 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -6.262 flat angles P-C4'-P energy: -1.881 tors. eta vs tors. theta energy: -6.182 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: 5, replica: 3 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -100.501155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.501155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.501155 (E_RNA) where: Base-Base interactions energy: -63.832 where: short stacking energy: -32.124 Base-Backbone interact. energy: -1.836 local terms energy: -34.832991 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -6.808 tors. eta vs tors. theta energy: -6.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -71.360760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.360760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.360760 (E_RNA) where: Base-Base interactions energy: -32.561 where: short stacking energy: -32.561 Base-Backbone interact. energy: -0.000 local terms energy: -38.800042 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -9.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -74.623974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.623974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.623974 (E_RNA) where: Base-Base interactions energy: -42.317 where: short stacking energy: -25.238 Base-Backbone interact. energy: -0.001 local terms energy: -32.305517 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -5.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -52.206773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.206773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.206773 (E_RNA) where: Base-Base interactions energy: -27.721 where: short stacking energy: -22.805 Base-Backbone interact. energy: -0.044 local terms energy: -24.441105 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -6.968 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: 9, replica: 8 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -49.533891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.533891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.533891 (E_RNA) where: Base-Base interactions energy: -23.454 where: short stacking energy: -23.454 Base-Backbone interact. energy: -0.097 local terms energy: -25.982928 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -1.895 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -4.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -52.555484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.555484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.555484 (E_RNA) where: Base-Base interactions energy: -18.724 where: short stacking energy: -18.724 Base-Backbone interact. energy: -0.037 local terms energy: -33.794652 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -8.250 flat angles C4'-P-C4' energy: -8.686 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -4.769 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: 5 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -118.069163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.069163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.069163 (E_RNA) where: Base-Base interactions energy: -85.836 where: short stacking energy: -36.949 Base-Backbone interact. energy: -0.016 local terms energy: -32.216713 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -2.661 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: 2, replica: 9 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -108.417362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.417362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.417362 (E_RNA) where: Base-Base interactions energy: -69.033 where: short stacking energy: -33.052 Base-Backbone interact. energy: -0.005 local terms energy: -39.379493 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -105.087498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.087498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.087498 (E_RNA) where: Base-Base interactions energy: -72.227 where: short stacking energy: -35.468 Base-Backbone interact. energy: -1.248 local terms energy: -31.612559 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -68.470291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.470291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.470291 (E_RNA) where: Base-Base interactions energy: -30.733 where: short stacking energy: -30.733 Base-Backbone interact. energy: -0.000 local terms energy: -37.737399 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.075 flat angles P-C4'-P energy: -6.848 tors. eta vs tors. theta energy: -6.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -97.615947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.615947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.615947 (E_RNA) where: Base-Base interactions energy: -62.175 where: short stacking energy: -27.750 Base-Backbone interact. energy: -1.357 local terms energy: -34.083942 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -8.058 flat angles C4'-P-C4' energy: -8.936 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -4.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -63.889593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.889593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.889593 (E_RNA) where: Base-Base interactions energy: -43.763 where: short stacking energy: -23.035 Base-Backbone interact. energy: -0.076 local terms energy: -20.050208 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.009 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: 0.276 tors. eta vs tors. theta energy: -1.224 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: 6 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -56.447639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.447639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.447639 (E_RNA) where: Base-Base interactions energy: -26.182 where: short stacking energy: -26.182 Base-Backbone interact. energy: -0.089 local terms energy: -30.177109 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.660 flat angles C4'-P-C4' energy: -8.669 flat angles P-C4'-P energy: -4.101 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: 8, replica: 10 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -51.501133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.501133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.501133 (E_RNA) where: Base-Base interactions energy: -24.514 where: short stacking energy: -17.875 Base-Backbone interact. energy: -0.050 local terms energy: -26.936943 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -2.690 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: 4 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -70.904857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.904857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.904857 (E_RNA) where: Base-Base interactions energy: -46.442 where: short stacking energy: -21.751 Base-Backbone interact. energy: -0.021 local terms energy: -24.442357 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -3.859 flat angles P-C4'-P energy: -6.005 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: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -49.736790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.736790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.736790 (E_RNA) where: Base-Base interactions energy: -20.238 where: short stacking energy: -19.169 Base-Backbone interact. energy: 0.665 local terms energy: -30.163468 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -2.930 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: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -117.925334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.925334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.925334 (E_RNA) where: Base-Base interactions energy: -87.061 where: short stacking energy: -33.003 Base-Backbone interact. energy: -0.235 local terms energy: -30.629577 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.721 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -2.356 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: 2, replica: 2 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -102.776281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.776281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.776281 (E_RNA) where: Base-Base interactions energy: -72.014 where: short stacking energy: -29.828 Base-Backbone interact. energy: 0.117 local terms energy: -30.878917 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -106.272252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.272252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.272252 (E_RNA) where: Base-Base interactions energy: -72.222 where: short stacking energy: -32.443 Base-Backbone interact. energy: -0.301 local terms energy: -33.749318 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -4.360 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: 4, replica: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -100.773368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.773368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.773368 (E_RNA) where: Base-Base interactions energy: -67.270 where: short stacking energy: -31.537 Base-Backbone interact. energy: -0.232 local terms energy: -33.271163 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -5.869 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: 7 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -70.116828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.116828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.116828 (E_RNA) where: Base-Base interactions energy: -39.184 where: short stacking energy: -39.184 Base-Backbone interact. energy: -0.007 local terms energy: -30.925968 where: bonds (distance) C4'-P energy: -5.126 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -7.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -69.504344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.504344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.504344 (E_RNA) where: Base-Base interactions energy: -43.443 where: short stacking energy: -34.271 Base-Backbone interact. energy: -0.001 local terms energy: -26.060258 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -1.921 tors. eta vs tors. theta energy: -6.338 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: 7, replica: 1 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -54.544679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.544679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.544679 (E_RNA) where: Base-Base interactions energy: -27.506 where: short stacking energy: -20.259 Base-Backbone interact. energy: -0.027 local terms energy: -27.011744 where: bonds (distance) C4'-P energy: -4.043 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -6.894 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: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -58.308774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.308774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.308774 (E_RNA) where: Base-Base interactions energy: -23.391 where: short stacking energy: -23.391 Base-Backbone interact. energy: -0.012 local terms energy: -34.905371 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -6.846 tors. eta vs tors. theta energy: -4.469 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: 4 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -55.159314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.159314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.159314 (E_RNA) where: Base-Base interactions energy: -29.079 where: short stacking energy: -17.700 Base-Backbone interact. energy: -0.159 local terms energy: -25.920526 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -2.359 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: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -56.354264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.354264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.354264 (E_RNA) where: Base-Base interactions energy: -27.923 where: short stacking energy: -27.923 Base-Backbone interact. energy: -0.001 local terms energy: -28.429953 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -6.945 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -4.464 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: 1, replica: 5 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -117.016374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.016374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.016374 (E_RNA) where: Base-Base interactions energy: -86.620 where: short stacking energy: -35.835 Base-Backbone interact. energy: -0.003 local terms energy: -30.393451 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -5.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -106.375787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.375787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.375787 (E_RNA) where: Base-Base interactions energy: -67.161 where: short stacking energy: -29.931 Base-Backbone interact. energy: -1.175 local terms energy: -38.039077 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -8.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -105.736019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.736019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.736019 (E_RNA) where: Base-Base interactions energy: -68.385 where: short stacking energy: -34.687 Base-Backbone interact. energy: -0.480 local terms energy: -36.871049 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -8.920 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: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -103.594856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.594856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.594856 (E_RNA) where: Base-Base interactions energy: -71.222 where: short stacking energy: -34.559 Base-Backbone interact. energy: -0.000 local terms energy: -32.372857 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -4.371 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: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -68.221400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.221400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.221400 (E_RNA) where: Base-Base interactions energy: -38.099 where: short stacking energy: -38.099 Base-Backbone interact. energy: -0.001 local terms energy: -30.121218 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -2.051 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -8.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -66.567413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.567413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.567413 (E_RNA) where: Base-Base interactions energy: -39.102 where: short stacking energy: -23.531 Base-Backbone interact. energy: -0.234 local terms energy: -27.231096 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -3.586 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: 7, replica: 1 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -63.916004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.916004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.916004 (E_RNA) where: Base-Base interactions energy: -27.855 where: short stacking energy: -27.855 Base-Backbone interact. energy: -0.000 local terms energy: -36.061420 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -9.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -56.385015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.385015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.385015 (E_RNA) where: Base-Base interactions energy: -26.225 where: short stacking energy: -26.225 Base-Backbone interact. energy: -0.000 local terms energy: -30.159830 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.704 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -4.114 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: 110 Temperature: 1.300000 Total energy: -51.939889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.939889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.939889 (E_RNA) where: Base-Base interactions energy: -28.620 where: short stacking energy: -27.199 Base-Backbone interact. energy: -0.110 local terms energy: -23.210351 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -7.012 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: 2.092 tors. eta vs tors. theta energy: -6.211 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: 10, replica: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -51.352262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.352262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.352262 (E_RNA) where: Base-Base interactions energy: -23.597 where: short stacking energy: -23.597 Base-Backbone interact. energy: -0.000 local terms energy: -27.754501 where: bonds (distance) C4'-P energy: -4.780 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -5.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -118.686687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.686687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.686687 (E_RNA) where: Base-Base interactions energy: -88.129 where: short stacking energy: -36.544 Base-Backbone interact. energy: -0.026 local terms energy: -30.531688 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -8.484 flat angles P-C4'-P energy: -2.225 tors. eta vs tors. theta energy: -4.541 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: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -118.640990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.640990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.640990 (E_RNA) where: Base-Base interactions energy: -87.527 where: short stacking energy: -33.940 Base-Backbone interact. energy: -0.003 local terms energy: -31.111166 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -0.055 tors. eta vs tors. theta energy: -7.392 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: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -104.843066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.843066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.843066 (E_RNA) where: Base-Base interactions energy: -70.841 where: short stacking energy: -36.468 Base-Backbone interact. energy: -0.552 local terms energy: -33.450597 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.414 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -8.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -99.398608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.398608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.398608 (E_RNA) where: Base-Base interactions energy: -66.805 where: short stacking energy: -34.505 Base-Backbone interact. energy: 0.549 local terms energy: -33.142408 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -6.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -60.344764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.344764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.344764 (E_RNA) where: Base-Base interactions energy: -30.662 where: short stacking energy: -25.424 Base-Backbone interact. energy: -0.042 local terms energy: -29.640764 where: bonds (distance) C4'-P energy: -5.646 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -8.685 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -69.490302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.490302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.490302 (E_RNA) where: Base-Base interactions energy: -36.572 where: short stacking energy: -35.687 Base-Backbone interact. energy: -0.003 local terms energy: -32.914724 where: bonds (distance) C4'-P energy: -5.531 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -2.387 flat angles P-C4'-P energy: -7.198 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: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -56.795017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.795017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.795017 (E_RNA) where: Base-Base interactions energy: -22.046 where: short stacking energy: -22.046 Base-Backbone interact. energy: -0.033 local terms energy: -34.715749 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -5.820 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: 10 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -48.151323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.151323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.151323 (E_RNA) where: Base-Base interactions energy: -23.549 where: short stacking energy: -23.549 Base-Backbone interact. energy: -0.001 local terms energy: -24.602107 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -1.634 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: 9, replica: 8 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -56.297046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.297046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.297046 (E_RNA) where: Base-Base interactions energy: -35.917 where: short stacking energy: -15.772 Base-Backbone interact. energy: -0.096 local terms energy: -20.283662 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: 1.062 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -54.373501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.373501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.373501 (E_RNA) where: Base-Base interactions energy: -23.414 where: short stacking energy: -21.851 Base-Backbone interact. energy: -0.001 local terms energy: -30.958791 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -3.187 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: 112 Temperature: 0.900000 Total energy: -116.051514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.051514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.051514 (E_RNA) where: Base-Base interactions energy: -87.674 where: short stacking energy: -34.940 Base-Backbone interact. energy: -0.051 local terms energy: -28.326527 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: 0.112 tors. eta vs tors. theta energy: -8.303 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: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -115.981567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.981567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.981567 (E_RNA) where: Base-Base interactions energy: -84.972 where: short stacking energy: -36.393 Base-Backbone interact. energy: -0.292 local terms energy: -30.716971 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -2.018 tors. eta vs tors. theta energy: -7.694 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: 112 Temperature: 1.000000 Total energy: -108.147742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.147742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.147742 (E_RNA) where: Base-Base interactions energy: -72.608 where: short stacking energy: -36.483 Base-Backbone interact. energy: -1.099 local terms energy: -34.440370 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -5.459 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -6.974 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: 4, replica: 9 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -93.875259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.875259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.875259 (E_RNA) where: Base-Base interactions energy: -63.625 where: short stacking energy: -28.116 Base-Backbone interact. energy: -0.002 local terms energy: -30.248339 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.470 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -3.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -72.427287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.427287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.427287 (E_RNA) where: Base-Base interactions energy: -44.174 where: short stacking energy: -26.942 Base-Backbone interact. energy: -0.032 local terms energy: -28.220921 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -68.225588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.225588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.225588 (E_RNA) where: Base-Base interactions energy: -34.033 where: short stacking energy: -34.033 Base-Backbone interact. energy: -0.001 local terms energy: -34.192315 where: bonds (distance) C4'-P energy: -6.396 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.287 flat angles P-C4'-P energy: -3.527 tors. eta vs tors. theta energy: -7.112 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: 10 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -75.677221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.677221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.677221 (E_RNA) where: Base-Base interactions energy: -44.619 where: short stacking energy: -29.628 Base-Backbone interact. energy: -0.001 local terms energy: -31.056755 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -5.608 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: 8, replica: 7 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -57.337599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.337599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.337599 (E_RNA) where: Base-Base interactions energy: -31.774 where: short stacking energy: -22.708 Base-Backbone interact. energy: -0.024 local terms energy: -25.539877 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -0.272 tors. eta vs tors. theta energy: -4.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -57.556599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.556599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.556599 (E_RNA) where: Base-Base interactions energy: -30.533 where: short stacking energy: -30.533 Base-Backbone interact. energy: -0.042 local terms energy: -26.981931 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -5.337 flat angles C4'-P-C4' energy: -8.202 flat angles P-C4'-P energy: -2.795 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: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -43.152769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.152769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.152769 (E_RNA) where: Base-Base interactions energy: -18.694 where: short stacking energy: -18.694 Base-Backbone interact. energy: 1.540 local terms energy: -25.998023 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -3.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -109.345388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.345388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.345388 (E_RNA) where: Base-Base interactions energy: -77.828 where: short stacking energy: -30.327 Base-Backbone interact. energy: -0.047 local terms energy: -31.470664 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -8.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -115.043294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.043294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.043294 (E_RNA) where: Base-Base interactions energy: -86.390 where: short stacking energy: -34.821 Base-Backbone interact. energy: -0.002 local terms energy: -28.651147 where: bonds (distance) C4'-P energy: -5.476 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -0.030 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: 3, replica: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -99.066983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.066983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.066983 (E_RNA) where: Base-Base interactions energy: -65.934 where: short stacking energy: -31.919 Base-Backbone interact. energy: 1.222 local terms energy: -34.355247 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -3.186 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: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -69.495951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.495951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.495951 (E_RNA) where: Base-Base interactions energy: -38.053 where: short stacking energy: -27.675 Base-Backbone interact. energy: -0.093 local terms energy: -31.350210 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.205 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -7.078 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: 5, replica: 9 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -77.468111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.468111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.468111 (E_RNA) where: Base-Base interactions energy: -43.306 where: short stacking energy: -26.238 Base-Backbone interact. energy: -0.734 local terms energy: -33.427642 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -76.776831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.776831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.776831 (E_RNA) where: Base-Base interactions energy: -49.133 where: short stacking energy: -13.604 Base-Backbone interact. energy: -0.436 local terms energy: -27.208292 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -5.278 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -6.364 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: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -60.708562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.708562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.708562 (E_RNA) where: Base-Base interactions energy: -27.810 where: short stacking energy: -27.810 Base-Backbone interact. energy: -0.000 local terms energy: -32.898264 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -7.213 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: 113 Temperature: 1.250000 Total energy: -50.956727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.956727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.956727 (E_RNA) where: Base-Base interactions energy: -23.447 where: short stacking energy: -9.280 Base-Backbone interact. energy: -0.038 local terms energy: -27.471455 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: 0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -53.987550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.987550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.987550 (E_RNA) where: Base-Base interactions energy: -25.410 where: short stacking energy: -25.410 Base-Backbone interact. energy: 0.083 local terms energy: -28.660020 where: bonds (distance) C4'-P energy: -5.333 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -50.699199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.699199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.699199 (E_RNA) where: Base-Base interactions energy: -21.052 where: short stacking energy: -21.052 Base-Backbone interact. energy: -0.001 local terms energy: -29.645631 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -6.943 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -113.283737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.283737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.283737 (E_RNA) where: Base-Base interactions energy: -83.927 where: short stacking energy: -31.554 Base-Backbone interact. energy: -0.002 local terms energy: -29.354617 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: 3.235 tors. eta vs tors. theta energy: -7.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -111.765648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.765648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.765648 (E_RNA) where: Base-Base interactions energy: -72.583 where: short stacking energy: -36.351 Base-Backbone interact. energy: -0.539 local terms energy: -38.643140 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -6.608 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -8.411 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: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -89.346130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.346130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.346130 (E_RNA) where: Base-Base interactions energy: -59.818 where: short stacking energy: -31.610 Base-Backbone interact. energy: -0.047 local terms energy: -29.480689 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -4.534 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: 3 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -100.476465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.476465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.476465 (E_RNA) where: Base-Base interactions energy: -69.806 where: short stacking energy: -34.673 Base-Backbone interact. energy: 0.209 local terms energy: -30.879366 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -2.531 tors. eta vs tors. theta energy: -6.570 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: 9 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -63.498139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.498139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.498139 (E_RNA) where: Base-Base interactions energy: -30.611 where: short stacking energy: -29.283 Base-Backbone interact. energy: -0.003 local terms energy: -32.884649 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -5.291 tors. eta vs tors. theta energy: -6.918 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: 6, replica: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -87.786140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.786140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.786140 (E_RNA) where: Base-Base interactions energy: -55.461 where: short stacking energy: -25.163 Base-Backbone interact. energy: -0.001 local terms energy: -32.324317 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -63.877291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.877291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.877291 (E_RNA) where: Base-Base interactions energy: -27.845 where: short stacking energy: -27.845 Base-Backbone interact. energy: -0.043 local terms energy: -35.988972 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -7.774 tors. eta vs tors. theta energy: -6.380 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: 4 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -57.879892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.879892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.879892 (E_RNA) where: Base-Base interactions energy: -26.381 where: short stacking energy: -24.446 Base-Backbone interact. energy: -0.000 local terms energy: -31.498912 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.223 flat angles P-C4'-P energy: -1.836 tors. eta vs tors. theta energy: -4.183 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: 8 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -48.104267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.104267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.104267 (E_RNA) where: Base-Base interactions energy: -19.858 where: short stacking energy: -19.858 Base-Backbone interact. energy: -0.162 local terms energy: -28.084730 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -6.119 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -43.912210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.912210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.912210 (E_RNA) where: Base-Base interactions energy: -18.253 where: short stacking energy: -18.253 Base-Backbone interact. energy: -0.006 local terms energy: -25.652664 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -5.933 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: 1, replica: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -109.731416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.731416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.731416 (E_RNA) where: Base-Base interactions energy: -78.975 where: short stacking energy: -31.320 Base-Backbone interact. energy: -0.594 local terms energy: -30.161536 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: 2.365 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: 2, replica: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -101.752938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.752938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.752938 (E_RNA) where: Base-Base interactions energy: -69.484 where: short stacking energy: -35.025 Base-Backbone interact. energy: -0.986 local terms energy: -31.283547 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -4.603 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: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -104.969672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.969672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.969672 (E_RNA) where: Base-Base interactions energy: -68.689 where: short stacking energy: -33.509 Base-Backbone interact. energy: -0.498 local terms energy: -35.782538 where: bonds (distance) C4'-P energy: -5.534 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -7.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -106.286786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.286786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.286786 (E_RNA) where: Base-Base interactions energy: -68.224 where: short stacking energy: -35.212 Base-Backbone interact. energy: -0.898 local terms energy: -37.164467 where: bonds (distance) C4'-P energy: -7.894 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -6.508 tors. eta vs tors. theta energy: -7.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -66.733088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.733088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.733088 (E_RNA) where: Base-Base interactions energy: -41.385 where: short stacking energy: -33.637 Base-Backbone interact. energy: -0.001 local terms energy: -25.347852 where: bonds (distance) C4'-P energy: -4.794 bonds (distance) P-C4' energy: -1.644 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -7.443 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: 10 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -92.947673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.947673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.947673 (E_RNA) where: Base-Base interactions energy: -65.860 where: short stacking energy: -24.044 Base-Backbone interact. energy: -0.027 local terms energy: -27.060231 where: bonds (distance) C4'-P energy: -4.596 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -2.414 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: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -50.555223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.555223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.555223 (E_RNA) where: Base-Base interactions energy: -20.165 where: short stacking energy: -20.165 Base-Backbone interact. energy: -0.153 local terms energy: -30.236848 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -5.569 tors. eta vs tors. theta energy: 0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -55.904112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.904112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.904112 (E_RNA) where: Base-Base interactions energy: -23.821 where: short stacking energy: -23.821 Base-Backbone interact. energy: -0.010 local terms energy: -32.073127 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -6.559 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: 9, replica: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -59.753254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.753254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.753254 (E_RNA) where: Base-Base interactions energy: -29.653 where: short stacking energy: -29.653 Base-Backbone interact. energy: -0.000 local terms energy: -30.100332 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -5.695 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: 7 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -51.897320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.897320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.897320 (E_RNA) where: Base-Base interactions energy: -21.977 where: short stacking energy: -16.568 Base-Backbone interact. energy: -0.523 local terms energy: -29.397657 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -5.770 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: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -111.179107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.179107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.179107 (E_RNA) where: Base-Base interactions energy: -73.130 where: short stacking energy: -35.929 Base-Backbone interact. energy: -1.582 local terms energy: -36.466651 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.102 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -6.210 tors. eta vs tors. theta energy: -8.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -108.834086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.834086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.834086 (E_RNA) where: Base-Base interactions energy: -69.380 where: short stacking energy: -35.706 Base-Backbone interact. energy: -0.618 local terms energy: -38.836013 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -108.373111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.373111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.373111 (E_RNA) where: Base-Base interactions energy: -69.424 where: short stacking energy: -34.558 Base-Backbone interact. energy: -0.481 local terms energy: -38.468677 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -6.675 tors. eta vs tors. theta energy: -7.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -99.044445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.044445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.044445 (E_RNA) where: Base-Base interactions energy: -63.760 where: short stacking energy: -31.536 Base-Backbone interact. energy: -1.311 local terms energy: -33.973213 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -5.541 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: 5, replica: 10 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -107.221218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.221218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.221218 (E_RNA) where: Base-Base interactions energy: -70.630 where: short stacking energy: -35.530 Base-Backbone interact. energy: -0.806 local terms energy: -35.785967 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -7.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -59.833798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.833798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.833798 (E_RNA) where: Base-Base interactions energy: -27.844 where: short stacking energy: -27.844 Base-Backbone interact. energy: -0.073 local terms energy: -31.916489 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -5.559 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: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -59.388191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.388191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.388191 (E_RNA) where: Base-Base interactions energy: -27.106 where: short stacking energy: -27.022 Base-Backbone interact. energy: -1.457 local terms energy: -30.825077 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -5.719 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: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -63.097561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.097561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.097561 (E_RNA) where: Base-Base interactions energy: -33.178 where: short stacking energy: -33.178 Base-Backbone interact. energy: 0.210 local terms energy: -30.128939 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -75.830112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.830112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.830112 (E_RNA) where: Base-Base interactions energy: -47.089 where: short stacking energy: -23.629 Base-Backbone interact. energy: -0.000 local terms energy: -28.740467 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -2.197 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -51.479172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.479172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.479172 (E_RNA) where: Base-Base interactions energy: -25.424 where: short stacking energy: -19.336 Base-Backbone interact. energy: 0.157 local terms energy: -26.212557 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -5.753 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -5.065 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: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -112.058526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.058526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.058526 (E_RNA) where: Base-Base interactions energy: -72.646 where: short stacking energy: -37.102 Base-Backbone interact. energy: -1.572 local terms energy: -37.840784 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -9.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -106.849529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.849529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.849529 (E_RNA) where: Base-Base interactions energy: -71.118 where: short stacking energy: -37.587 Base-Backbone interact. energy: -0.287 local terms energy: -35.445047 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.141 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -6.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -110.561369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.561369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.561369 (E_RNA) where: Base-Base interactions energy: -71.750 where: short stacking energy: -35.392 Base-Backbone interact. energy: -1.342 local terms energy: -37.468749 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -7.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -106.353916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.353916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.353916 (E_RNA) where: Base-Base interactions energy: -68.977 where: short stacking energy: -33.613 Base-Backbone interact. energy: -1.027 local terms energy: -36.350330 where: bonds (distance) C4'-P energy: -6.803 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -9.108 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: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -98.055346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.055346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.055346 (E_RNA) where: Base-Base interactions energy: -65.440 where: short stacking energy: -30.072 Base-Backbone interact. energy: -0.977 local terms energy: -31.637901 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -3.300 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: 6, replica: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -61.510384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.510384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.510384 (E_RNA) where: Base-Base interactions energy: -31.341 where: short stacking energy: -31.341 Base-Backbone interact. energy: -0.000 local terms energy: -30.169332 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.716 flat angles P-C4'-P energy: 1.192 tors. eta vs tors. theta energy: -9.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -56.482484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.482484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.482484 (E_RNA) where: Base-Base interactions energy: -25.287 where: short stacking energy: -23.195 Base-Backbone interact. energy: -0.011 local terms energy: -31.184681 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -3.199 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: 8 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -62.049460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.049460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.049460 (E_RNA) where: Base-Base interactions energy: -35.896 where: short stacking energy: -20.093 Base-Backbone interact. energy: -0.100 local terms energy: -26.053417 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -62.187618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.187618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.187618 (E_RNA) where: Base-Base interactions energy: -35.342 where: short stacking energy: -11.373 Base-Backbone interact. energy: -0.042 local terms energy: -26.803719 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -1.758 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: 7 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -52.486717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.486717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.486717 (E_RNA) where: Base-Base interactions energy: -26.460 where: short stacking energy: -14.924 Base-Backbone interact. energy: -0.000 local terms energy: -26.026192 where: bonds (distance) C4'-P energy: -7.290 bonds (distance) P-C4' energy: -7.247 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -102.236635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.236635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.236635 (E_RNA) where: Base-Base interactions energy: -68.267 where: short stacking energy: -33.285 Base-Backbone interact. energy: -0.006 local terms energy: -33.964087 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -5.537 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: 2, replica: 1 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -108.510818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.510818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.510818 (E_RNA) where: Base-Base interactions energy: -73.006 where: short stacking energy: -36.598 Base-Backbone interact. energy: -0.003 local terms energy: -35.501755 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -7.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -111.556583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.556583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.556583 (E_RNA) where: Base-Base interactions energy: -72.532 where: short stacking energy: -36.229 Base-Backbone interact. energy: -1.001 local terms energy: -38.022920 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -5.359 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: 4, replica: 10 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -106.596741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.596741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.596741 (E_RNA) where: Base-Base interactions energy: -69.572 where: short stacking energy: -34.170 Base-Backbone interact. energy: -1.132 local terms energy: -35.893445 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -5.744 tors. eta vs tors. theta energy: -6.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -101.680736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.680736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.680736 (E_RNA) where: Base-Base interactions energy: -67.151 where: short stacking energy: -32.284 Base-Backbone interact. energy: -0.539 local terms energy: -33.990978 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -5.380 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -6.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -70.512169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.512169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.512169 (E_RNA) where: Base-Base interactions energy: -40.001 where: short stacking energy: -40.001 Base-Backbone interact. energy: -0.000 local terms energy: -30.510525 where: bonds (distance) C4'-P energy: -1.614 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -8.452 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -9.763 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: 9 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -60.909274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.909274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.909274 (E_RNA) where: Base-Base interactions energy: -26.179 where: short stacking energy: -26.179 Base-Backbone interact. energy: -0.000 local terms energy: -34.730287 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -3.189 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: 8, replica: 8 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -45.719761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.719761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.719761 (E_RNA) where: Base-Base interactions energy: -18.154 where: short stacking energy: -18.154 Base-Backbone interact. energy: -0.182 local terms energy: -27.383597 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -3.474 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: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -61.296233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.296233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.296233 (E_RNA) where: Base-Base interactions energy: -33.981 where: short stacking energy: -17.380 Base-Backbone interact. energy: -0.437 local terms energy: -26.877740 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: 0.009 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: 118 Temperature: 1.350000 Total energy: -51.632163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.632163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.632163 (E_RNA) where: Base-Base interactions energy: -26.176 where: short stacking energy: -15.291 Base-Backbone interact. energy: -0.232 local terms energy: -25.223866 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -112.200492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.200492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.200492 (E_RNA) where: Base-Base interactions energy: -75.350 where: short stacking energy: -33.325 Base-Backbone interact. energy: -0.137 local terms energy: -36.713353 where: bonds (distance) C4'-P energy: -5.720 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.861 flat angles P-C4'-P energy: -6.044 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: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -108.954982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.954982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.954982 (E_RNA) where: Base-Base interactions energy: -75.404 where: short stacking energy: -32.326 Base-Backbone interact. energy: -0.377 local terms energy: -33.174804 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -7.341 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: 1 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -97.868089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.868089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.868089 (E_RNA) where: Base-Base interactions energy: -65.379 where: short stacking energy: -30.456 Base-Backbone interact. energy: -0.165 local terms energy: -32.324163 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -4.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -107.875611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.875611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.875611 (E_RNA) where: Base-Base interactions energy: -70.572 where: short stacking energy: -34.271 Base-Backbone interact. energy: -1.205 local terms energy: -36.099216 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -8.196 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -104.977604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.977604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.977604 (E_RNA) where: Base-Base interactions energy: -68.434 where: short stacking energy: -34.329 Base-Backbone interact. energy: -1.336 local terms energy: -35.207106 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -5.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -49.927953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.927953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.927953 (E_RNA) where: Base-Base interactions energy: -17.683 where: short stacking energy: -17.683 Base-Backbone interact. energy: -0.019 local terms energy: -32.226698 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.348 flat angles P-C4'-P energy: -4.294 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: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -64.207437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.207437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.207437 (E_RNA) where: Base-Base interactions energy: -26.828 where: short stacking energy: -26.828 Base-Backbone interact. energy: -0.000 local terms energy: -37.379536 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -9.066 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -7.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -74.781945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.781945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.781945 (E_RNA) where: Base-Base interactions energy: -43.780 where: short stacking energy: -18.848 Base-Backbone interact. energy: -0.043 local terms energy: -30.958515 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -4.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -51.310928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.310928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.310928 (E_RNA) where: Base-Base interactions energy: -25.333 where: short stacking energy: -25.333 Base-Backbone interact. energy: -0.029 local terms energy: -25.949338 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -5.460 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -5.505 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: 6 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -51.727270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.727270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.727270 (E_RNA) where: Base-Base interactions energy: -28.918 where: short stacking energy: -28.918 Base-Backbone interact. energy: -0.024 local terms energy: -22.784913 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -3.045 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: 1, replica: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -109.501633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.501633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.501633 (E_RNA) where: Base-Base interactions energy: -72.753 where: short stacking energy: -36.289 Base-Backbone interact. energy: -0.582 local terms energy: -36.166745 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -5.983 tors. eta vs tors. theta energy: -7.554 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: 120 Temperature: 0.950000 Total energy: -103.484305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.484305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.484305 (E_RNA) where: Base-Base interactions energy: -71.531 where: short stacking energy: -36.211 Base-Backbone interact. energy: -0.021 local terms energy: -31.931850 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -4.607 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: 3, replica: 10 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -107.992002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.992002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.992002 (E_RNA) where: Base-Base interactions energy: -68.458 where: short stacking energy: -35.153 Base-Backbone interact. energy: -0.036 local terms energy: -39.498601 where: bonds (distance) C4'-P energy: -8.122 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -8.981 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -7.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -100.962779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.962779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.962779 (E_RNA) where: Base-Base interactions energy: -67.826 where: short stacking energy: -31.097 Base-Backbone interact. energy: -1.337 local terms energy: -31.800269 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -67.060096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.060096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.060096 (E_RNA) where: Base-Base interactions energy: -30.726 where: short stacking energy: -30.726 Base-Backbone interact. energy: -0.001 local terms energy: -36.332598 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -1.959 tors. eta vs tors. theta energy: -9.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -95.420211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.420211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.420211 (E_RNA) where: Base-Base interactions energy: -65.387 where: short stacking energy: -29.006 Base-Backbone interact. energy: -0.097 local terms energy: -29.936646 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -69.268933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.268933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.268933 (E_RNA) where: Base-Base interactions energy: -39.712 where: short stacking energy: -21.056 Base-Backbone interact. energy: -0.444 local terms energy: -29.112643 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.628 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -0.836 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: 8, replica: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -66.365652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.365652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.365652 (E_RNA) where: Base-Base interactions energy: -34.404 where: short stacking energy: -34.404 Base-Backbone interact. energy: -0.000 local terms energy: -31.961605 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -7.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -76.013310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.013310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.013310 (E_RNA) where: Base-Base interactions energy: -50.135 where: short stacking energy: -21.791 Base-Backbone interact. energy: -0.341 local terms energy: -25.537844 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -6.439 tors. eta vs tors. theta energy: -1.973 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: 10, replica: 7 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -48.397221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.397221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.397221 (E_RNA) where: Base-Base interactions energy: -23.035 where: short stacking energy: -23.035 Base-Backbone interact. energy: 0.210 local terms energy: -25.573122 where: bonds (distance) C4'-P energy: -1.640 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -109.559955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.559955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.559955 (E_RNA) where: Base-Base interactions energy: -73.475 where: short stacking energy: -30.854 Base-Backbone interact. energy: -0.003 local terms energy: -36.082071 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.587 flat angles P-C4'-P energy: -1.736 tors. eta vs tors. theta energy: -7.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -107.670756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.670756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.670756 (E_RNA) where: Base-Base interactions energy: -78.399 where: short stacking energy: -34.858 Base-Backbone interact. energy: -0.031 local terms energy: -29.240912 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: 1.283 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -109.117604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.117604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.117604 (E_RNA) where: Base-Base interactions energy: -71.579 where: short stacking energy: -34.533 Base-Backbone interact. energy: -0.600 local terms energy: -36.937871 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -8.064 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -7.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -107.113447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.113447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.113447 (E_RNA) where: Base-Base interactions energy: -72.382 where: short stacking energy: -36.911 Base-Backbone interact. energy: -0.862 local terms energy: -33.869726 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -95.670833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.670833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.670833 (E_RNA) where: Base-Base interactions energy: -62.077 where: short stacking energy: -31.629 Base-Backbone interact. energy: -0.394 local terms energy: -33.200156 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -4.129 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -97.083283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.083283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.083283 (E_RNA) where: Base-Base interactions energy: -65.629 where: short stacking energy: -29.637 Base-Backbone interact. energy: -1.862 local terms energy: -29.593057 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -60.315835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.315835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.315835 (E_RNA) where: Base-Base interactions energy: -31.116 where: short stacking energy: -17.166 Base-Backbone interact. energy: -0.027 local terms energy: -29.172663 where: bonds (distance) C4'-P energy: -2.104 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -7.753 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -58.775983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.775983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.775983 (E_RNA) where: Base-Base interactions energy: -30.310 where: short stacking energy: -25.674 Base-Backbone interact. energy: -0.005 local terms energy: -28.461082 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -1.915 flat angles P-C4'-P energy: -5.980 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: 9, replica: 6 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -64.137620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.137620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.137620 (E_RNA) where: Base-Base interactions energy: -32.922 where: short stacking energy: -32.922 Base-Backbone interact. energy: -0.000 local terms energy: -31.214958 where: bonds (distance) C4'-P energy: -4.519 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -8.778 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -5.673 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: 121 Temperature: 1.350000 Total energy: -58.119944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.119944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.119944 (E_RNA) where: Base-Base interactions energy: -26.610 where: short stacking energy: -26.610 Base-Backbone interact. energy: -0.100 local terms energy: -31.409636 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -6.457 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: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -111.490142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.490142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.490142 (E_RNA) where: Base-Base interactions energy: -72.634 where: short stacking energy: -32.291 Base-Backbone interact. energy: -0.017 local terms energy: -38.839309 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -9.517 flat angles P-C4'-P energy: -5.857 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: 2, replica: 5 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -106.689463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.689463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.689463 (E_RNA) where: Base-Base interactions energy: -70.789 where: short stacking energy: -34.448 Base-Backbone interact. energy: -0.003 local terms energy: -35.897113 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -7.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -108.779097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.779097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.779097 (E_RNA) where: Base-Base interactions energy: -72.885 where: short stacking energy: -35.742 Base-Backbone interact. energy: -0.667 local terms energy: -35.226910 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -8.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -107.169649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.169649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.169649 (E_RNA) where: Base-Base interactions energy: -69.761 where: short stacking energy: -34.862 Base-Backbone interact. energy: -0.001 local terms energy: -37.408255 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -4.402 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: 5, replica: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -95.686436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.686436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.686436 (E_RNA) where: Base-Base interactions energy: -66.979 where: short stacking energy: -24.751 Base-Backbone interact. energy: -0.009 local terms energy: -28.699336 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.825 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -1.814 tors. eta vs tors. theta energy: -5.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -99.913345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.913345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.913345 (E_RNA) where: Base-Base interactions energy: -71.525 where: short stacking energy: -33.626 Base-Backbone interact. energy: -1.148 local terms energy: -27.240440 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -68.619195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.619195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.619195 (E_RNA) where: Base-Base interactions energy: -35.679 where: short stacking energy: -35.679 Base-Backbone interact. energy: -0.014 local terms energy: -32.926370 where: bonds (distance) C4'-P energy: -7.824 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -60.534966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.534966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.534966 (E_RNA) where: Base-Base interactions energy: -38.958 where: short stacking energy: -13.626 Base-Backbone interact. energy: -0.071 local terms energy: -21.505354 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.733 flat angles C4'-P-C4' energy: -2.644 flat angles P-C4'-P energy: -3.088 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: 9, replica: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -55.069618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.069618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.069618 (E_RNA) where: Base-Base interactions energy: -23.938 where: short stacking energy: -22.022 Base-Backbone interact. energy: -0.004 local terms energy: -31.127528 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -5.796 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: 6 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -49.860542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.860542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.860542 (E_RNA) where: Base-Base interactions energy: -17.515 where: short stacking energy: -17.515 Base-Backbone interact. energy: -0.004 local terms energy: -32.340952 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -110.341763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.341763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.341763 (E_RNA) where: Base-Base interactions energy: -70.459 where: short stacking energy: -33.966 Base-Backbone interact. energy: -1.344 local terms energy: -38.539217 where: bonds (distance) C4'-P energy: -7.327 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -8.511 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: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -112.564762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.564762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.564762 (E_RNA) where: Base-Base interactions energy: -73.298 where: short stacking energy: -36.091 Base-Backbone interact. energy: -1.282 local terms energy: -37.984528 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -5.811 tors. eta vs tors. theta energy: -7.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -105.045495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.045495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.045495 (E_RNA) where: Base-Base interactions energy: -68.217 where: short stacking energy: -30.107 Base-Backbone interact. energy: -0.007 local terms energy: -36.821121 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -7.448 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: 4, replica: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -106.697561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.697561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.697561 (E_RNA) where: Base-Base interactions energy: -70.301 where: short stacking energy: -34.475 Base-Backbone interact. energy: -0.220 local terms energy: -36.176822 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -8.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -106.027510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.027510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.027510 (E_RNA) where: Base-Base interactions energy: -75.187 where: short stacking energy: -37.458 Base-Backbone interact. energy: -0.000 local terms energy: -30.840608 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: -5.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -97.160729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.160729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.160729 (E_RNA) where: Base-Base interactions energy: -65.595 where: short stacking energy: -34.515 Base-Backbone interact. energy: -0.368 local terms energy: -31.198068 where: bonds (distance) C4'-P energy: -5.066 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -5.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -63.288326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.288326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.288326 (E_RNA) where: Base-Base interactions energy: -31.330 where: short stacking energy: -31.330 Base-Backbone interact. energy: -0.013 local terms energy: -31.945356 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -5.399 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: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -51.429396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.429396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.429396 (E_RNA) where: Base-Base interactions energy: -22.781 where: short stacking energy: -22.645 Base-Backbone interact. energy: -0.101 local terms energy: -28.546625 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -2.140 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -57.931269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.931269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.931269 (E_RNA) where: Base-Base interactions energy: -41.500 where: short stacking energy: -18.743 Base-Backbone interact. energy: -0.351 local terms energy: -16.080097 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: 0.521 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: 0.953 tors. eta vs tors. theta energy: -1.196 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: 123 Temperature: 1.350000 Total energy: -52.305010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.305010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.305010 (E_RNA) where: Base-Base interactions energy: -21.719 where: short stacking energy: -21.165 Base-Backbone interact. energy: -0.061 local terms energy: -30.524802 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -5.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -110.546437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.546437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.546437 (E_RNA) where: Base-Base interactions energy: -75.126 where: short stacking energy: -37.179 Base-Backbone interact. energy: -0.825 local terms energy: -34.595972 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -4.906 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: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -106.573052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.573052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.573052 (E_RNA) where: Base-Base interactions energy: -73.578 where: short stacking energy: -37.314 Base-Backbone interact. energy: 0.535 local terms energy: -33.530543 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -7.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -103.306999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.306999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.306999 (E_RNA) where: Base-Base interactions energy: -73.849 where: short stacking energy: -31.604 Base-Backbone interact. energy: -0.669 local terms energy: -28.788978 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: 1.091 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: 4, replica: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -110.244676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.244676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.244676 (E_RNA) where: Base-Base interactions energy: -66.874 where: short stacking energy: -33.088 Base-Backbone interact. energy: -1.117 local terms energy: -42.253881 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -9.095 flat angles P-C4'-P energy: -7.605 tors. eta vs tors. theta energy: -7.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -104.295016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.295016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.295016 (E_RNA) where: Base-Base interactions energy: -69.211 where: short stacking energy: -36.511 Base-Backbone interact. energy: -0.977 local terms energy: -34.106428 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -8.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -92.992563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.992563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.992563 (E_RNA) where: Base-Base interactions energy: -66.643 where: short stacking energy: -34.859 Base-Backbone interact. energy: -0.024 local terms energy: -26.325843 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -4.222 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -3.177 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: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -58.151664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.151664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.151664 (E_RNA) where: Base-Base interactions energy: -27.707 where: short stacking energy: -20.148 Base-Backbone interact. energy: -0.055 local terms energy: -30.389290 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -5.799 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: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -59.581532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.581532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.581532 (E_RNA) where: Base-Base interactions energy: -28.934 where: short stacking energy: -28.934 Base-Backbone interact. energy: -0.025 local terms energy: -30.622290 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -55.083802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.083802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.083802 (E_RNA) where: Base-Base interactions energy: -25.229 where: short stacking energy: -25.229 Base-Backbone interact. energy: -0.000 local terms energy: -29.854194 where: bonds (distance) C4'-P energy: -5.622 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -4.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -57.516991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.516991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.516991 (E_RNA) where: Base-Base interactions energy: -23.375 where: short stacking energy: -23.375 Base-Backbone interact. energy: -0.002 local terms energy: -34.140396 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -5.647 flat angles C4'-P-C4' energy: -8.679 flat angles P-C4'-P energy: -7.484 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -110.759307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.759307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.759307 (E_RNA) where: Base-Base interactions energy: -75.782 where: short stacking energy: -38.124 Base-Backbone interact. energy: -0.264 local terms energy: -34.713722 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -9.196 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -6.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -112.433282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.433282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.433282 (E_RNA) where: Base-Base interactions energy: -79.502 where: short stacking energy: -30.602 Base-Backbone interact. energy: -0.007 local terms energy: -32.924909 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -1.728 tors. eta vs tors. theta energy: -6.267 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: 5 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -106.195263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.195263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.195263 (E_RNA) where: Base-Base interactions energy: -70.196 where: short stacking energy: -35.808 Base-Backbone interact. energy: -0.596 local terms energy: -35.403425 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -5.682 flat angles C4'-P-C4' energy: -8.511 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -7.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -102.739870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.739870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.739870 (E_RNA) where: Base-Base interactions energy: -69.842 where: short stacking energy: -32.647 Base-Backbone interact. energy: -0.963 local terms energy: -31.934155 where: bonds (distance) C4'-P energy: -5.940 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -3.977 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: 5, replica: 9 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -91.363446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.363446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.363446 (E_RNA) where: Base-Base interactions energy: -62.503 where: short stacking energy: -26.839 Base-Backbone interact. energy: -0.006 local terms energy: -28.854309 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -8.244 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -99.680501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.680501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.680501 (E_RNA) where: Base-Base interactions energy: -67.282 where: short stacking energy: -36.215 Base-Backbone interact. energy: 0.943 local terms energy: -33.341736 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -4.681 tors. eta vs tors. theta energy: -6.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -65.801324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.801324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.801324 (E_RNA) where: Base-Base interactions energy: -28.546 where: short stacking energy: -28.546 Base-Backbone interact. energy: -0.003 local terms energy: -37.252865 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -4.500 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: 8, replica: 6 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -59.204637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.204637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.204637 (E_RNA) where: Base-Base interactions energy: -29.814 where: short stacking energy: -24.306 Base-Backbone interact. energy: -0.003 local terms energy: -29.388116 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.244 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -3.523 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: 9, replica: 4 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -54.266484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.266484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.266484 (E_RNA) where: Base-Base interactions energy: -29.781 where: short stacking energy: -25.730 Base-Backbone interact. energy: -0.121 local terms energy: -24.364419 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -5.247 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -1.043 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -48.267455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.267455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.267455 (E_RNA) where: Base-Base interactions energy: -23.835 where: short stacking energy: -22.128 Base-Backbone interact. energy: -0.033 local terms energy: -24.399248 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -4.297 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -2.233 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -107.721278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.721278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.721278 (E_RNA) where: Base-Base interactions energy: -70.798 where: short stacking energy: -35.656 Base-Backbone interact. energy: -0.040 local terms energy: -36.883105 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -108.635368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.635368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.635368 (E_RNA) where: Base-Base interactions energy: -75.869 where: short stacking energy: -34.929 Base-Backbone interact. energy: -0.591 local terms energy: -32.175391 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -2.277 tors. eta vs tors. theta energy: -3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -106.570807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.570807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.570807 (E_RNA) where: Base-Base interactions energy: -68.538 where: short stacking energy: -36.143 Base-Backbone interact. energy: -0.001 local terms energy: -38.031824 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -8.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -103.496710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.496710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.496710 (E_RNA) where: Base-Base interactions energy: -68.818 where: short stacking energy: -34.097 Base-Backbone interact. energy: -0.004 local terms energy: -34.674555 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -8.710 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -6.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -102.602020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.602020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.602020 (E_RNA) where: Base-Base interactions energy: -66.223 where: short stacking energy: -30.966 Base-Backbone interact. energy: -1.621 local terms energy: -34.757904 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -6.979 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: 6, replica: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -99.456563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.456563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.456563 (E_RNA) where: Base-Base interactions energy: -68.562 where: short stacking energy: -25.204 Base-Backbone interact. energy: -0.378 local terms energy: -30.516230 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -7.317 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -3.665 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: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -96.403520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.403520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.403520 (E_RNA) where: Base-Base interactions energy: -64.297 where: short stacking energy: -27.495 Base-Backbone interact. energy: -2.243 local terms energy: -29.863674 where: bonds (distance) C4'-P energy: -5.824 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -6.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -54.871384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.871384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.871384 (E_RNA) where: Base-Base interactions energy: -24.652 where: short stacking energy: -24.652 Base-Backbone interact. energy: -0.107 local terms energy: -30.112763 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -7.438 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -4.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -67.296175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.296175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.296175 (E_RNA) where: Base-Base interactions energy: -42.843 where: short stacking energy: -14.646 Base-Backbone interact. energy: -0.215 local terms energy: -24.238086 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -2.268 flat angles P-C4'-P energy: -7.168 tors. eta vs tors. theta energy: 0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -52.047671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.047671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.047671 (E_RNA) where: Base-Base interactions energy: -29.992 where: short stacking energy: -25.809 Base-Backbone interact. energy: -0.037 local terms energy: -22.018782 where: bonds (distance) C4'-P energy: -1.591 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -5.886 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: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -100.083867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.083867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.083867 (E_RNA) where: Base-Base interactions energy: -64.870 where: short stacking energy: -32.616 Base-Backbone interact. energy: -0.268 local terms energy: -34.945838 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -6.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -109.581001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.581001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.581001 (E_RNA) where: Base-Base interactions energy: -71.965 where: short stacking energy: -36.458 Base-Backbone interact. energy: -1.189 local terms energy: -36.427005 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -6.041 tors. eta vs tors. theta energy: -6.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -103.566044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.566044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.566044 (E_RNA) where: Base-Base interactions energy: -70.635 where: short stacking energy: -29.133 Base-Backbone interact. energy: -0.166 local terms energy: -32.765021 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -4.022 tors. eta vs tors. theta energy: -7.106 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: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -107.262585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.262585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.262585 (E_RNA) where: Base-Base interactions energy: -69.988 where: short stacking energy: -35.255 Base-Backbone interact. energy: -1.222 local terms energy: -36.052967 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -7.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -88.585991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.585991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.585991 (E_RNA) where: Base-Base interactions energy: -55.806 where: short stacking energy: -27.984 Base-Backbone interact. energy: -0.001 local terms energy: -32.779456 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -4.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -102.576272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.576272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.576272 (E_RNA) where: Base-Base interactions energy: -65.832 where: short stacking energy: -31.273 Base-Backbone interact. energy: -0.060 local terms energy: -36.683671 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -8.159 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: 7, replica: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -100.746737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.746737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.746737 (E_RNA) where: Base-Base interactions energy: -68.263 where: short stacking energy: -34.842 Base-Backbone interact. energy: -0.196 local terms energy: -32.287344 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -4.525 tors. eta vs tors. theta energy: -8.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -66.278210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.278210 (E_RNA) where: Base-Base interactions energy: -38.883 where: short stacking energy: -19.938 Base-Backbone interact. energy: -0.159 local terms energy: -27.236310 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -4.675 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: 9, replica: 7 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -55.280561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.280561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.280561 (E_RNA) where: Base-Base interactions energy: -28.872 where: short stacking energy: -22.702 Base-Backbone interact. energy: -0.101 local terms energy: -26.307683 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -5.240 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -46.604897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.604897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.604897 (E_RNA) where: Base-Base interactions energy: -18.155 where: short stacking energy: -18.155 Base-Backbone interact. energy: -0.000 local terms energy: -28.450089 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.745 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -116.274536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.274536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.274536 (E_RNA) where: Base-Base interactions energy: -84.997 where: short stacking energy: -39.160 Base-Backbone interact. energy: -0.044 local terms energy: -31.234268 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -9.070 flat angles P-C4'-P energy: 2.638 tors. eta vs tors. theta energy: -8.475 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: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -96.347414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.347414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.347414 (E_RNA) where: Base-Base interactions energy: -63.250 where: short stacking energy: -31.794 Base-Backbone interact. energy: -0.019 local terms energy: -33.078476 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -4.288 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: 3, replica: 5 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -108.741137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.741137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.741137 (E_RNA) where: Base-Base interactions energy: -73.574 where: short stacking energy: -30.906 Base-Backbone interact. energy: -0.251 local terms energy: -34.916011 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -1.401 tors. eta vs tors. theta energy: -8.089 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: 9 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -101.169663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.169663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.169663 (E_RNA) where: Base-Base interactions energy: -62.926 where: short stacking energy: -29.381 Base-Backbone interact. energy: -0.152 local terms energy: -38.092107 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -7.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -106.240528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.240528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.240528 (E_RNA) where: Base-Base interactions energy: -70.847 where: short stacking energy: -35.628 Base-Backbone interact. energy: -2.072 local terms energy: -33.322401 where: bonds (distance) C4'-P energy: -5.345 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -9.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -89.965320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.965320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.965320 (E_RNA) where: Base-Base interactions energy: -56.521 where: short stacking energy: -29.400 Base-Backbone interact. energy: -0.007 local terms energy: -33.437273 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -5.708 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: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -54.049331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.049331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.049331 (E_RNA) where: Base-Base interactions energy: -28.666 where: short stacking energy: -21.604 Base-Backbone interact. energy: -0.011 local terms energy: -25.372781 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -2.057 tors. eta vs tors. theta energy: -3.575 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: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -97.837848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.837848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.837848 (E_RNA) where: Base-Base interactions energy: -65.175 where: short stacking energy: -30.976 Base-Backbone interact. energy: -0.000 local terms energy: -32.662127 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.381 flat angles P-C4'-P energy: -1.246 tors. eta vs tors. theta energy: -8.901 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: 128 Temperature: 1.300000 Total energy: -46.588414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.588414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.588414 (E_RNA) where: Base-Base interactions energy: -19.668 where: short stacking energy: -19.668 Base-Backbone interact. energy: -0.006 local terms energy: -26.914743 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.231 flat angles C4'-P-C4' energy: -3.206 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -61.479988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.479988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.479988 (E_RNA) where: Base-Base interactions energy: -35.742 where: short stacking energy: -23.458 Base-Backbone interact. energy: -0.167 local terms energy: -25.570865 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.029 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -1.133 tors. eta vs tors. theta energy: -3.525 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: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -109.656351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.656351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.656351 (E_RNA) where: Base-Base interactions energy: -73.179 where: short stacking energy: -37.474 Base-Backbone interact. energy: -0.011 local terms energy: -36.466816 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -8.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -108.547789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.547789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.547789 (E_RNA) where: Base-Base interactions energy: -71.569 where: short stacking energy: -36.008 Base-Backbone interact. energy: -0.922 local terms energy: -36.056367 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -7.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -105.606588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.606588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.606588 (E_RNA) where: Base-Base interactions energy: -72.969 where: short stacking energy: -32.649 Base-Backbone interact. energy: -0.380 local terms energy: -32.257328 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -2.618 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: 4, replica: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -97.651329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.651329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.651329 (E_RNA) where: Base-Base interactions energy: -69.319 where: short stacking energy: -26.123 Base-Backbone interact. energy: -0.036 local terms energy: -28.297164 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -0.744 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -103.682153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.682153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.682153 (E_RNA) where: Base-Base interactions energy: -68.863 where: short stacking energy: -34.909 Base-Backbone interact. energy: -0.606 local terms energy: -34.212681 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -6.401 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -6.296 tors. eta vs tors. theta energy: -7.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -93.663571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.663571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.663571 (E_RNA) where: Base-Base interactions energy: -68.232 where: short stacking energy: -35.001 Base-Backbone interact. energy: -0.142 local terms energy: -25.289141 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -3.827 flat angles C4'-P-C4' energy: -3.415 flat angles P-C4'-P energy: -5.443 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: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -64.469172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.469172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.469172 (E_RNA) where: Base-Base interactions energy: -34.650 where: short stacking energy: -29.967 Base-Backbone interact. energy: -0.101 local terms energy: -29.718458 where: bonds (distance) C4'-P energy: -6.299 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -70.339907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.339907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.339907 (E_RNA) where: Base-Base interactions energy: -39.300 where: short stacking energy: -20.560 Base-Backbone interact. energy: -0.055 local terms energy: -30.985656 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -80.334828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.334828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.334828 (E_RNA) where: Base-Base interactions energy: -53.641 where: short stacking energy: -28.502 Base-Backbone interact. energy: 0.033 local terms energy: -26.726582 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -52.038853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.038853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.038853 (E_RNA) where: Base-Base interactions energy: -23.465 where: short stacking energy: -23.465 Base-Backbone interact. energy: -0.000 local terms energy: -28.573460 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: 0.078 tors. eta vs tors. theta energy: -5.587 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: 1, replica: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -109.971077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.971077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.971077 (E_RNA) where: Base-Base interactions energy: -69.180 where: short stacking energy: -33.734 Base-Backbone interact. energy: -0.646 local terms energy: -40.145742 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -5.788 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: 2, replica: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -103.907937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.907937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.907937 (E_RNA) where: Base-Base interactions energy: -66.932 where: short stacking energy: -31.509 Base-Backbone interact. energy: -0.252 local terms energy: -36.723900 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.245 flat angles P-C4'-P energy: -5.810 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: 3, replica: 9 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -110.013432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.013432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.013432 (E_RNA) where: Base-Base interactions energy: -69.749 where: short stacking energy: -35.741 Base-Backbone interact. energy: -1.783 local terms energy: -38.480756 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -8.639 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: 130 Temperature: 1.050000 Total energy: -96.887618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.887618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.887618 (E_RNA) where: Base-Base interactions energy: -64.880 where: short stacking energy: -30.090 Base-Backbone interact. energy: -0.087 local terms energy: -31.920974 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -8.244 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -7.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -93.864925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.864925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.864925 (E_RNA) where: Base-Base interactions energy: -60.730 where: short stacking energy: -29.991 Base-Backbone interact. energy: 0.350 local terms energy: -33.484622 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.861 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -6.058 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: 6, replica: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -91.005986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.005986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.005986 (E_RNA) where: Base-Base interactions energy: -67.137 where: short stacking energy: -25.359 Base-Backbone interact. energy: -0.168 local terms energy: -23.701560 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -64.980391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.980391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.980391 (E_RNA) where: Base-Base interactions energy: -39.646 where: short stacking energy: -23.667 Base-Backbone interact. energy: -0.043 local terms energy: -25.291727 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -6.345 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -0.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -69.750143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.750143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.750143 (E_RNA) where: Base-Base interactions energy: -34.575 where: short stacking energy: -30.909 Base-Backbone interact. energy: -0.000 local terms energy: -35.174712 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -6.083 tors. eta vs tors. theta energy: -8.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -51.137087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.137087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.137087 (E_RNA) where: Base-Base interactions energy: -30.565 where: short stacking energy: -19.148 Base-Backbone interact. energy: -0.083 local terms energy: -20.488477 where: bonds (distance) C4'-P energy: -4.918 bonds (distance) P-C4' energy: -4.979 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -1.957 tors. eta vs tors. theta energy: -1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -55.356476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.356476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.356476 (E_RNA) where: Base-Base interactions energy: -27.737 where: short stacking energy: -27.737 Base-Backbone interact. energy: -0.177 local terms energy: -27.442738 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -3.792 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -108.038070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.038070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.038070 (E_RNA) where: Base-Base interactions energy: -69.510 where: short stacking energy: -35.936 Base-Backbone interact. energy: -0.005 local terms energy: -38.523432 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -8.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -108.260745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.260745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.260745 (E_RNA) where: Base-Base interactions energy: -72.194 where: short stacking energy: -35.415 Base-Backbone interact. energy: -1.051 local terms energy: -35.015104 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -7.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -102.510537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.510537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.510537 (E_RNA) where: Base-Base interactions energy: -68.893 where: short stacking energy: -27.284 Base-Backbone interact. energy: -0.162 local terms energy: -33.455520 where: bonds (distance) C4'-P energy: -8.130 bonds (distance) P-C4' energy: -6.002 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: -5.908 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: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -96.503131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.503131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.503131 (E_RNA) where: Base-Base interactions energy: -65.483 where: short stacking energy: -29.610 Base-Backbone interact. energy: -0.080 local terms energy: -30.939419 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: -6.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -98.037565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.037565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.037565 (E_RNA) where: Base-Base interactions energy: -66.204 where: short stacking energy: -30.703 Base-Backbone interact. energy: -0.003 local terms energy: -31.831011 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -5.126 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: 4 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -61.245678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.245678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.245678 (E_RNA) where: Base-Base interactions energy: -26.227 where: short stacking energy: -26.227 Base-Backbone interact. energy: -0.003 local terms energy: -35.015050 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -6.521 tors. eta vs tors. theta energy: -4.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -97.107159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.107159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.107159 (E_RNA) where: Base-Base interactions energy: -63.386 where: short stacking energy: -27.946 Base-Backbone interact. energy: 0.347 local terms energy: -34.067803 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -6.299 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: 8, replica: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -56.146944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.146944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.146944 (E_RNA) where: Base-Base interactions energy: -31.123 where: short stacking energy: -31.123 Base-Backbone interact. energy: -0.000 local terms energy: -25.023931 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -1.487 tors. eta vs tors. theta energy: -5.590 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: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -48.716741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.716741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.716741 (E_RNA) where: Base-Base interactions energy: -21.477 where: short stacking energy: -21.477 Base-Backbone interact. energy: -0.027 local terms energy: -27.212487 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: 0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -53.332220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.332220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.332220 (E_RNA) where: Base-Base interactions energy: -25.373 where: short stacking energy: -25.373 Base-Backbone interact. energy: -0.000 local terms energy: -27.959093 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -6.456 tors. eta vs tors. theta energy: -3.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -109.512291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.512291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.512291 (E_RNA) where: Base-Base interactions energy: -72.551 where: short stacking energy: -36.058 Base-Backbone interact. energy: -0.669 local terms energy: -36.292248 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -7.393 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: 1 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -108.699432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.699432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.699432 (E_RNA) where: Base-Base interactions energy: -69.485 where: short stacking energy: -35.518 Base-Backbone interact. energy: -1.050 local terms energy: -38.165066 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -8.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -94.250566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.250566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.250566 (E_RNA) where: Base-Base interactions energy: -63.716 where: short stacking energy: -23.682 Base-Backbone interact. energy: -0.483 local terms energy: -30.052112 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -5.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -106.543816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.543816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.543816 (E_RNA) where: Base-Base interactions energy: -72.101 where: short stacking energy: -36.013 Base-Backbone interact. energy: -0.197 local terms energy: -34.245683 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -7.713 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: 5 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -100.778648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.778648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.778648 (E_RNA) where: Base-Base interactions energy: -68.976 where: short stacking energy: -27.955 Base-Backbone interact. energy: -0.037 local terms energy: -31.765701 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -5.720 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: 132 Temperature: 1.150000 Total energy: -59.471431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.471431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.471431 (E_RNA) where: Base-Base interactions energy: -31.249 where: short stacking energy: -23.431 Base-Backbone interact. energy: -0.087 local terms energy: -28.135015 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: -2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -61.660067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.660067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.660067 (E_RNA) where: Base-Base interactions energy: -31.075 where: short stacking energy: -31.075 Base-Backbone interact. energy: -0.006 local terms energy: -30.578143 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -2.131 tors. eta vs tors. theta energy: -6.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -99.819688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.819688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.819688 (E_RNA) where: Base-Base interactions energy: -70.507 where: short stacking energy: -35.417 Base-Backbone interact. energy: -0.070 local terms energy: -29.242193 where: bonds (distance) C4'-P energy: -6.240 bonds (distance) P-C4' energy: -5.275 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -4.877 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: 9, replica: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -54.535242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.535242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.535242 (E_RNA) where: Base-Base interactions energy: -24.921 where: short stacking energy: -24.921 Base-Backbone interact. energy: -0.027 local terms energy: -29.587139 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -52.480122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.480122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.480122 (E_RNA) where: Base-Base interactions energy: -26.443 where: short stacking energy: -21.932 Base-Backbone interact. energy: -0.113 local terms energy: -25.924694 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -7.228 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -5.263 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -112.912782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.912782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.912782 (E_RNA) where: Base-Base interactions energy: -73.725 where: short stacking energy: -36.914 Base-Backbone interact. energy: -0.785 local terms energy: -38.403397 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.418 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -7.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -98.175014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.175014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.175014 (E_RNA) where: Base-Base interactions energy: -63.413 where: short stacking energy: -31.351 Base-Backbone interact. energy: -0.046 local terms energy: -34.715452 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.137 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -5.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -107.303083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.303083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.303083 (E_RNA) where: Base-Base interactions energy: -69.955 where: short stacking energy: -34.281 Base-Backbone interact. energy: -0.836 local terms energy: -36.512426 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -8.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -100.909383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.909383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.909383 (E_RNA) where: Base-Base interactions energy: -70.038 where: short stacking energy: -35.517 Base-Backbone interact. energy: -0.662 local terms energy: -30.209202 where: bonds (distance) C4'-P energy: -6.765 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -5.265 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: 5, replica: 5 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -101.079883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.079883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.079883 (E_RNA) where: Base-Base interactions energy: -66.710 where: short stacking energy: -30.254 Base-Backbone interact. energy: -1.686 local terms energy: -32.683817 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -5.099 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: 133 Temperature: 1.150000 Total energy: -62.665261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.665261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.665261 (E_RNA) where: Base-Base interactions energy: -31.433 where: short stacking energy: -31.433 Base-Backbone interact. energy: 1.982 local terms energy: -33.214149 where: bonds (distance) C4'-P energy: -7.389 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -4.057 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: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -55.104319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.104319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.104319 (E_RNA) where: Base-Base interactions energy: -24.763 where: short stacking energy: -24.763 Base-Backbone interact. energy: -0.008 local terms energy: -30.333977 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -96.366225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.366225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.366225 (E_RNA) where: Base-Base interactions energy: -63.330 where: short stacking energy: -32.311 Base-Backbone interact. energy: -0.737 local terms energy: -32.299257 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -6.386 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -6.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -59.268929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.268929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.268929 (E_RNA) where: Base-Base interactions energy: -25.770 where: short stacking energy: -25.770 Base-Backbone interact. energy: -0.000 local terms energy: -33.498780 where: bonds (distance) C4'-P energy: -5.319 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -3.801 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: 10, replica: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -50.833669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.833669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.833669 (E_RNA) where: Base-Base interactions energy: -24.633 where: short stacking energy: -14.568 Base-Backbone interact. energy: -0.017 local terms energy: -26.184023 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -1.439 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -110.799183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.799183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.799183 (E_RNA) where: Base-Base interactions energy: -73.264 where: short stacking energy: -36.617 Base-Backbone interact. energy: -0.490 local terms energy: -37.046089 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -4.707 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: 2, replica: 6 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -94.043183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.043183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.043183 (E_RNA) where: Base-Base interactions energy: -57.303 where: short stacking energy: -30.825 Base-Backbone interact. energy: -0.042 local terms energy: -36.698207 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -9.043 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -5.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -105.783196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.783196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.783196 (E_RNA) where: Base-Base interactions energy: -69.866 where: short stacking energy: -34.825 Base-Backbone interact. energy: -1.119 local terms energy: -34.797975 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.936 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -103.101706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.101706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.101706 (E_RNA) where: Base-Base interactions energy: -65.629 where: short stacking energy: -28.921 Base-Backbone interact. energy: -0.925 local terms energy: -36.547818 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.754 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -7.282 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: 5 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -99.311862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.311862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.311862 (E_RNA) where: Base-Base interactions energy: -68.160 where: short stacking energy: -31.855 Base-Backbone interact. energy: 0.417 local terms energy: -31.568602 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -8.928 flat angles P-C4'-P energy: -4.007 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: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -61.953434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.953434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.953434 (E_RNA) where: Base-Base interactions energy: -30.456 where: short stacking energy: -22.669 Base-Backbone interact. energy: -0.202 local terms energy: -31.295417 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.664 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -5.842 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: 7, replica: 2 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -95.862819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.862819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.862819 (E_RNA) where: Base-Base interactions energy: -66.727 where: short stacking energy: -28.916 Base-Backbone interact. energy: -0.003 local terms energy: -29.133026 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -3.460 flat angles P-C4'-P energy: -4.905 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: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -59.491359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.491359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.491359 (E_RNA) where: Base-Base interactions energy: -29.929 where: short stacking energy: -28.120 Base-Backbone interact. energy: -0.094 local terms energy: -29.468111 where: bonds (distance) C4'-P energy: -7.194 bonds (distance) P-C4' energy: -4.178 flat angles C4'-P-C4' energy: -8.205 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -72.193692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.193692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.193692 (E_RNA) where: Base-Base interactions energy: -39.468 where: short stacking energy: -30.407 Base-Backbone interact. energy: -0.000 local terms energy: -32.725276 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -7.537 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: 3 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -53.392262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.392262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.392262 (E_RNA) where: Base-Base interactions energy: -23.848 where: short stacking energy: -23.848 Base-Backbone interact. energy: -0.018 local terms energy: -29.526008 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -5.782 flat angles P-C4'-P energy: -2.295 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -108.818102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.818102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.818102 (E_RNA) where: Base-Base interactions energy: -75.775 where: short stacking energy: -33.901 Base-Backbone interact. energy: -0.144 local terms energy: -32.899378 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -7.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -112.835453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.835453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.835453 (E_RNA) where: Base-Base interactions energy: -72.707 where: short stacking energy: -36.374 Base-Backbone interact. energy: -0.681 local terms energy: -39.447504 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -8.527 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -7.189 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: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -94.861903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.861903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.861903 (E_RNA) where: Base-Base interactions energy: -59.473 where: short stacking energy: -28.055 Base-Backbone interact. energy: -0.488 local terms energy: -34.901028 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -5.400 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: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -91.484873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.484873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.484873 (E_RNA) where: Base-Base interactions energy: -63.416 where: short stacking energy: -32.447 Base-Backbone interact. energy: -0.025 local terms energy: -28.043974 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -107.349895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.349895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.349895 (E_RNA) where: Base-Base interactions energy: -74.292 where: short stacking energy: -36.723 Base-Backbone interact. energy: -1.811 local terms energy: -31.246952 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.796 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -6.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -85.549651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.549651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.549651 (E_RNA) where: Base-Base interactions energy: -57.603 where: short stacking energy: -29.720 Base-Backbone interact. energy: -0.191 local terms energy: -27.754841 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: -1.059 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: 7 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -63.065166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.065166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.065166 (E_RNA) where: Base-Base interactions energy: -39.456 where: short stacking energy: -27.946 Base-Backbone interact. energy: -0.040 local terms energy: -23.568441 where: bonds (distance) C4'-P energy: -5.030 bonds (distance) P-C4' energy: -4.338 flat angles C4'-P-C4' energy: -7.928 flat angles P-C4'-P energy: -3.642 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: 8, replica: 8 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -57.299943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.299943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.299943 (E_RNA) where: Base-Base interactions energy: -28.872 where: short stacking energy: -28.872 Base-Backbone interact. energy: -0.000 local terms energy: -28.428374 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -4.381 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -3.356 tors. eta vs tors. theta energy: -8.141 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: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -61.880457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.880457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.880457 (E_RNA) where: Base-Base interactions energy: -29.425 where: short stacking energy: -29.425 Base-Backbone interact. energy: -0.000 local terms energy: -32.455587 where: bonds (distance) C4'-P energy: -5.912 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -5.837 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: 10, replica: 3 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -50.592295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.592295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.592295 (E_RNA) where: Base-Base interactions energy: -23.692 where: short stacking energy: -23.692 Base-Backbone interact. energy: 0.271 local terms energy: -27.171996 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: 0.170 tors. eta vs tors. theta energy: -5.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -109.473141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.473141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.473141 (E_RNA) where: Base-Base interactions energy: -79.641 where: short stacking energy: -34.347 Base-Backbone interact. energy: -0.001 local terms energy: -29.831177 where: bonds (distance) C4'-P energy: -7.468 bonds (distance) P-C4' energy: -5.665 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -1.920 tors. eta vs tors. theta energy: -6.685 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: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -109.453724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.453724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.453724 (E_RNA) where: Base-Base interactions energy: -74.513 where: short stacking energy: -32.864 Base-Backbone interact. energy: -0.062 local terms energy: -34.879286 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -5.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -97.568240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.568240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.568240 (E_RNA) where: Base-Base interactions energy: -63.468 where: short stacking energy: -28.427 Base-Backbone interact. energy: -0.088 local terms energy: -34.012549 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -4.092 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: 4, replica: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -98.222913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.222913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.222913 (E_RNA) where: Base-Base interactions energy: -67.645 where: short stacking energy: -34.302 Base-Backbone interact. energy: -0.001 local terms energy: -30.577406 where: bonds (distance) C4'-P energy: -0.781 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.491 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -7.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -101.272729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.272729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.272729 (E_RNA) where: Base-Base interactions energy: -70.172 where: short stacking energy: -35.255 Base-Backbone interact. energy: -0.493 local terms energy: -30.607632 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -5.675 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: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -93.895375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.895375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.895375 (E_RNA) where: Base-Base interactions energy: -58.355 where: short stacking energy: -27.581 Base-Backbone interact. energy: -0.001 local terms energy: -35.540033 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -6.404 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: 7, replica: 8 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -62.312270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.312270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.312270 (E_RNA) where: Base-Base interactions energy: -31.216 where: short stacking energy: -31.216 Base-Backbone interact. energy: -0.000 local terms energy: -31.095567 where: bonds (distance) C4'-P energy: -5.697 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -73.172809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.172809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.172809 (E_RNA) where: Base-Base interactions energy: -42.166 where: short stacking energy: -27.993 Base-Backbone interact. energy: -1.265 local terms energy: -29.741576 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -5.814 flat angles C4'-P-C4' energy: -7.976 flat angles P-C4'-P energy: -2.762 tors. eta vs tors. theta energy: -6.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -61.341026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.341026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.341026 (E_RNA) where: Base-Base interactions energy: -27.727 where: short stacking energy: -24.076 Base-Backbone interact. energy: -0.000 local terms energy: -33.614064 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.905 flat angles P-C4'-P energy: -2.475 tors. eta vs tors. theta energy: -6.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -51.647376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.647376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.647376 (E_RNA) where: Base-Base interactions energy: -25.540 where: short stacking energy: -24.557 Base-Backbone interact. energy: -0.182 local terms energy: -25.925237 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -5.250 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -2.613 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: 1, replica: 10 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -110.726577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.726577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.726577 (E_RNA) where: Base-Base interactions energy: -72.684 where: short stacking energy: -37.048 Base-Backbone interact. energy: 0.192 local terms energy: -38.234061 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.857 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -7.360 tors. eta vs tors. theta energy: -7.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -108.199983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.199983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.199983 (E_RNA) where: Base-Base interactions energy: -70.982 where: short stacking energy: -34.134 Base-Backbone interact. energy: -0.176 local terms energy: -37.041926 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -8.996 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -6.504 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: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -100.169075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.169075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.169075 (E_RNA) where: Base-Base interactions energy: -64.358 where: short stacking energy: -30.352 Base-Backbone interact. energy: -0.960 local terms energy: -34.851404 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -5.875 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: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -107.617294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.617294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.617294 (E_RNA) where: Base-Base interactions energy: -71.529 where: short stacking energy: -36.883 Base-Backbone interact. energy: -0.711 local terms energy: -35.376879 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -8.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -105.609219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.609219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.609219 (E_RNA) where: Base-Base interactions energy: -69.328 where: short stacking energy: -35.401 Base-Backbone interact. energy: -1.411 local terms energy: -34.869956 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -4.020 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: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -101.755431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.755431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.755431 (E_RNA) where: Base-Base interactions energy: -64.683 where: short stacking energy: -33.249 Base-Backbone interact. energy: -1.143 local terms energy: -35.928816 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -7.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -64.590710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.590710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.590710 (E_RNA) where: Base-Base interactions energy: -28.700 where: short stacking energy: -28.700 Base-Backbone interact. energy: -0.013 local terms energy: -35.877665 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -7.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -54.506616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.506616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.506616 (E_RNA) where: Base-Base interactions energy: -27.129 where: short stacking energy: -16.344 Base-Backbone interact. energy: -0.125 local terms energy: -27.252291 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -0.049 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: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -47.410850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.410850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.410850 (E_RNA) where: Base-Base interactions energy: -25.538 where: short stacking energy: -15.433 Base-Backbone interact. energy: 1.849 local terms energy: -23.722021 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: 2.078 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: 10, replica: 3 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -53.816387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.816387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.816387 (E_RNA) where: Base-Base interactions energy: -26.110 where: short stacking energy: -25.550 Base-Backbone interact. energy: -0.077 local terms energy: -27.629319 where: bonds (distance) C4'-P energy: -6.010 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -3.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -107.368406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.368406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.368406 (E_RNA) where: Base-Base interactions energy: -68.523 where: short stacking energy: -34.945 Base-Backbone interact. energy: -0.923 local terms energy: -37.922178 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.723 flat angles P-C4'-P energy: -5.558 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: 2, replica: 10 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -107.522205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.522205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.522205 (E_RNA) where: Base-Base interactions energy: -72.293 where: short stacking energy: -36.788 Base-Backbone interact. energy: -0.025 local terms energy: -35.204058 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.991 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -8.810 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: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -100.780398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.780398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.780398 (E_RNA) where: Base-Base interactions energy: -69.717 where: short stacking energy: -34.674 Base-Backbone interact. energy: -0.757 local terms energy: -30.306298 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -99.948138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.948138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.948138 (E_RNA) where: Base-Base interactions energy: -65.472 where: short stacking energy: -28.825 Base-Backbone interact. energy: -1.646 local terms energy: -32.829988 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.983 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -6.004 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: 5, replica: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -102.368306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.368306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.368306 (E_RNA) where: Base-Base interactions energy: -69.359 where: short stacking energy: -32.164 Base-Backbone interact. energy: -0.002 local terms energy: -33.007107 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -98.888770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.888770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.888770 (E_RNA) where: Base-Base interactions energy: -68.371 where: short stacking energy: -34.643 Base-Backbone interact. energy: -0.003 local terms energy: -30.515420 where: bonds (distance) C4'-P energy: -5.050 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -0.620 tors. eta vs tors. theta energy: -7.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -51.833728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.833728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.833728 (E_RNA) where: Base-Base interactions energy: -25.891 where: short stacking energy: -17.480 Base-Backbone interact. energy: -0.080 local terms energy: -25.862274 where: bonds (distance) C4'-P energy: -4.712 bonds (distance) P-C4' energy: -6.740 flat angles C4'-P-C4' energy: -7.502 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -1.191 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: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -60.974808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.974808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.974808 (E_RNA) where: Base-Base interactions energy: -32.466 where: short stacking energy: -17.484 Base-Backbone interact. energy: -0.002 local terms energy: -28.506688 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -3.053 tors. eta vs tors. theta energy: -4.291 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: 9, replica: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -53.491392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.491392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.491392 (E_RNA) where: Base-Base interactions energy: -27.790 where: short stacking energy: -20.463 Base-Backbone interact. energy: -0.009 local terms energy: -25.692309 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -50.773232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.773232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.773232 (E_RNA) where: Base-Base interactions energy: -21.781 where: short stacking energy: -23.666 Base-Backbone interact. energy: -0.031 local terms energy: -28.960514 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -107.805283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.805283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.805283 (E_RNA) where: Base-Base interactions energy: -71.056 where: short stacking energy: -35.919 Base-Backbone interact. energy: -0.673 local terms energy: -36.076454 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -7.818 flat angles C4'-P-C4' energy: -8.918 flat angles P-C4'-P energy: -5.081 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: 2, replica: 10 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -107.616449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.616449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.616449 (E_RNA) where: Base-Base interactions energy: -72.675 where: short stacking energy: -34.355 Base-Backbone interact. energy: -1.116 local terms energy: -33.825436 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -8.620 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: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -100.550382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.550382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.550382 (E_RNA) where: Base-Base interactions energy: -63.733 where: short stacking energy: -28.299 Base-Backbone interact. energy: -1.835 local terms energy: -34.981773 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -5.454 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -6.449 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: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -103.155986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.155986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.155986 (E_RNA) where: Base-Base interactions energy: -66.827 where: short stacking energy: -32.199 Base-Backbone interact. energy: -0.047 local terms energy: -36.281911 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -3.998 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: 5, replica: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -100.274869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.274869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.274869 (E_RNA) where: Base-Base interactions energy: -67.085 where: short stacking energy: -27.628 Base-Backbone interact. energy: -0.011 local terms energy: -33.179074 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -3.062 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: 6, replica: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -99.437042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.437042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.437042 (E_RNA) where: Base-Base interactions energy: -63.275 where: short stacking energy: -28.779 Base-Backbone interact. energy: -1.032 local terms energy: -35.129894 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.682 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -7.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -87.695096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.695096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.695096 (E_RNA) where: Base-Base interactions energy: -57.258 where: short stacking energy: -29.071 Base-Backbone interact. energy: -0.007 local terms energy: -30.429246 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -4.266 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -7.118 tors. eta vs tors. theta energy: -4.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -58.785021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.785021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.785021 (E_RNA) where: Base-Base interactions energy: -33.243 where: short stacking energy: -15.490 Base-Backbone interact. energy: 0.720 local terms energy: -26.262399 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -2.754 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: 3 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -88.710460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.710460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.710460 (E_RNA) where: Base-Base interactions energy: -57.713 where: short stacking energy: -27.608 Base-Backbone interact. energy: -0.001 local terms energy: -30.995750 where: bonds (distance) C4'-P energy: -8.304 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -8.137 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -5.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -58.601346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.601346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.601346 (E_RNA) where: Base-Base interactions energy: -37.952 where: short stacking energy: -14.091 Base-Backbone interact. energy: -0.064 local terms energy: -20.585292 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -3.091 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: 0.252 tors. eta vs tors. theta energy: -1.847 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: 1, replica: 10 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -108.612003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.612003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.612003 (E_RNA) where: Base-Base interactions energy: -67.341 where: short stacking energy: -34.935 Base-Backbone interact. energy: -2.627 local terms energy: -38.644304 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -8.442 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: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -107.974185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.974185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.974185 (E_RNA) where: Base-Base interactions energy: -68.034 where: short stacking energy: -34.927 Base-Backbone interact. energy: -0.638 local terms energy: -39.302182 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -6.737 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: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -108.962885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.962885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.962885 (E_RNA) where: Base-Base interactions energy: -69.783 where: short stacking energy: -34.204 Base-Backbone interact. energy: -1.385 local terms energy: -37.794605 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -6.709 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: 4, replica: 5 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -102.837224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.837224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.837224 (E_RNA) where: Base-Base interactions energy: -69.019 where: short stacking energy: -32.170 Base-Backbone interact. energy: -0.001 local terms energy: -33.816990 where: bonds (distance) C4'-P energy: -8.967 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -99.537074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.537074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.537074 (E_RNA) where: Base-Base interactions energy: -66.495 where: short stacking energy: -30.735 Base-Backbone interact. energy: -0.968 local terms energy: -32.074206 where: bonds (distance) C4'-P energy: -5.825 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -3.067 tors. eta vs tors. theta energy: -5.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -96.177349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.177349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.177349 (E_RNA) where: Base-Base interactions energy: -66.711 where: short stacking energy: -30.070 Base-Backbone interact. energy: -1.708 local terms energy: -27.758487 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -4.690 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: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -92.373762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.373762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.373762 (E_RNA) where: Base-Base interactions energy: -63.100 where: short stacking energy: -29.179 Base-Backbone interact. energy: -0.070 local terms energy: -29.203356 where: bonds (distance) C4'-P energy: -5.465 bonds (distance) P-C4' energy: -6.835 flat angles C4'-P-C4' energy: -8.638 flat angles P-C4'-P energy: -5.197 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: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -57.848895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.848895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.848895 (E_RNA) where: Base-Base interactions energy: -29.395 where: short stacking energy: -20.654 Base-Backbone interact. energy: -0.004 local terms energy: -28.449824 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -1.142 tors. eta vs tors. theta energy: -3.606 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: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -52.318340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.318340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.318340 (E_RNA) where: Base-Base interactions energy: -17.798 where: short stacking energy: -17.798 Base-Backbone interact. energy: -0.001 local terms energy: -34.518803 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -5.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -82.379523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.379523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.379523 (E_RNA) where: Base-Base interactions energy: -49.680 where: short stacking energy: -22.710 Base-Backbone interact. energy: -0.041 local terms energy: -32.658910 where: bonds (distance) C4'-P energy: -5.058 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -110.733566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.733566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.733566 (E_RNA) where: Base-Base interactions energy: -70.821 where: short stacking energy: -36.869 Base-Backbone interact. energy: -1.788 local terms energy: -38.124672 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -8.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -107.757536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.757536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.757536 (E_RNA) where: Base-Base interactions energy: -69.916 where: short stacking energy: -33.261 Base-Backbone interact. energy: -0.538 local terms energy: -37.303905 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.520 flat angles P-C4'-P energy: -6.695 tors. eta vs tors. theta energy: -5.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -106.099054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.099054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.099054 (E_RNA) where: Base-Base interactions energy: -69.251 where: short stacking energy: -34.204 Base-Backbone interact. energy: -1.594 local terms energy: -35.253635 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -6.992 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: 4, replica: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -104.847215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.847215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.847215 (E_RNA) where: Base-Base interactions energy: -70.244 where: short stacking energy: -35.041 Base-Backbone interact. energy: -0.729 local terms energy: -33.873769 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -6.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -97.434954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.434954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.434954 (E_RNA) where: Base-Base interactions energy: -65.243 where: short stacking energy: -32.546 Base-Backbone interact. energy: -0.005 local terms energy: -32.186897 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -95.873540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.873540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.873540 (E_RNA) where: Base-Base interactions energy: -69.895 where: short stacking energy: -30.130 Base-Backbone interact. energy: 0.497 local terms energy: -26.475957 where: bonds (distance) C4'-P energy: -6.772 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: 2.451 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: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -72.949044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.949044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.949044 (E_RNA) where: Base-Base interactions energy: -49.189 where: short stacking energy: -18.080 Base-Backbone interact. energy: 1.652 local terms energy: -25.412213 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -4.250 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -6.883 tors. eta vs tors. theta energy: 0.958 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: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -48.552069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.552069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.552069 (E_RNA) where: Base-Base interactions energy: -20.211 where: short stacking energy: -20.211 Base-Backbone interact. energy: -0.080 local terms energy: -28.260731 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -6.194 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: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -56.662425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.662425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.662425 (E_RNA) where: Base-Base interactions energy: -23.073 where: short stacking energy: -23.073 Base-Backbone interact. energy: -0.100 local terms energy: -33.489822 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -6.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -46.405089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.405089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.405089 (E_RNA) where: Base-Base interactions energy: -17.719 where: short stacking energy: -17.719 Base-Backbone interact. energy: -0.014 local terms energy: -28.671743 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.431 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -5.202 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: 1, replica: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -111.876516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.876516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.876516 (E_RNA) where: Base-Base interactions energy: -72.890 where: short stacking energy: -37.097 Base-Backbone interact. energy: -1.795 local terms energy: -37.191707 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -9.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -105.350606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.350606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.350606 (E_RNA) where: Base-Base interactions energy: -74.538 where: short stacking energy: -31.980 Base-Backbone interact. energy: 0.239 local terms energy: -31.052012 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -8.456 flat angles P-C4'-P energy: -1.857 tors. eta vs tors. theta energy: -4.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -109.782517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.782517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.782517 (E_RNA) where: Base-Base interactions energy: -72.244 where: short stacking energy: -36.119 Base-Backbone interact. energy: -1.714 local terms energy: -35.823842 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.229 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -7.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -98.734547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.734547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.734547 (E_RNA) where: Base-Base interactions energy: -66.107 where: short stacking energy: -32.517 Base-Backbone interact. energy: -0.817 local terms energy: -31.809822 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -6.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -103.237110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.237110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.237110 (E_RNA) where: Base-Base interactions energy: -68.524 where: short stacking energy: -34.292 Base-Backbone interact. energy: -0.659 local terms energy: -34.054170 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -7.020 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: 6, replica: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -105.258487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.258487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.258487 (E_RNA) where: Base-Base interactions energy: -77.516 where: short stacking energy: -28.764 Base-Backbone interact. energy: -1.437 local terms energy: -26.306034 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -2.427 flat angles P-C4'-P energy: -3.879 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: 7, replica: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -62.616150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.616150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.616150 (E_RNA) where: Base-Base interactions energy: -26.198 where: short stacking energy: -26.198 Base-Backbone interact. energy: 0.158 local terms energy: -36.576699 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.337 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -50.065482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.065482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.065482 (E_RNA) where: Base-Base interactions energy: -24.690 where: short stacking energy: -12.285 Base-Backbone interact. energy: -0.001 local terms energy: -25.374225 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: 1.362 tors. eta vs tors. theta energy: -3.760 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: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -63.951364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.951364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.951364 (E_RNA) where: Base-Base interactions energy: -37.735 where: short stacking energy: -22.724 Base-Backbone interact. energy: -0.093 local terms energy: -26.123361 where: bonds (distance) C4'-P energy: -6.697 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -2.414 tors. eta vs tors. theta energy: -3.151 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: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -57.971827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.971827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.971827 (E_RNA) where: Base-Base interactions energy: -32.683 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.067 local terms energy: -25.221644 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -5.076 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: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -112.270653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.270653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.270653 (E_RNA) where: Base-Base interactions energy: -71.320 where: short stacking energy: -35.917 Base-Backbone interact. energy: -1.155 local terms energy: -39.796060 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -6.498 tors. eta vs tors. theta energy: -7.441 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: 143 Temperature: 0.950000 Total energy: -107.042593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.042593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.042593 (E_RNA) where: Base-Base interactions energy: -71.504 where: short stacking energy: -31.238 Base-Backbone interact. energy: -0.009 local terms energy: -35.529366 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -6.069 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: 143 Temperature: 1.000000 Total energy: -105.409780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.409780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.409780 (E_RNA) where: Base-Base interactions energy: -70.553 where: short stacking energy: -33.128 Base-Backbone interact. energy: -0.723 local terms energy: -34.134256 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -7.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -102.788527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.788527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.788527 (E_RNA) where: Base-Base interactions energy: -74.554 where: short stacking energy: -27.492 Base-Backbone interact. energy: -0.016 local terms energy: -28.218486 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -4.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -99.224379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.224379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.224379 (E_RNA) where: Base-Base interactions energy: -72.283 where: short stacking energy: -36.087 Base-Backbone interact. energy: 0.985 local terms energy: -27.926593 where: bonds (distance) C4'-P energy: -4.488 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -2.098 tors. eta vs tors. theta energy: -6.764 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: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -95.001237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.001237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.001237 (E_RNA) where: Base-Base interactions energy: -64.721 where: short stacking energy: -31.015 Base-Backbone interact. energy: -0.579 local terms energy: -29.701843 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -54.803565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.803565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.803565 (E_RNA) where: Base-Base interactions energy: -27.911 where: short stacking energy: -22.930 Base-Backbone interact. energy: -1.526 local terms energy: -25.366168 where: bonds (distance) C4'-P energy: -3.966 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -1.991 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: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -70.542597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.542597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.542597 (E_RNA) where: Base-Base interactions energy: -42.945 where: short stacking energy: -21.411 Base-Backbone interact. energy: -0.071 local terms energy: -27.526002 where: bonds (distance) C4'-P energy: -2.662 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -8.576 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -1.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -47.872992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.872992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.872992 (E_RNA) where: Base-Base interactions energy: -21.916 where: short stacking energy: -14.403 Base-Backbone interact. energy: -0.329 local terms energy: -25.627255 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -2.826 tors. eta vs tors. theta energy: -2.428 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: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -54.988532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.988532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.988532 (E_RNA) where: Base-Base interactions energy: -26.077 where: short stacking energy: -21.389 Base-Backbone interact. energy: -0.564 local terms energy: -28.347634 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -101.302727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.302727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.302727 (E_RNA) where: Base-Base interactions energy: -70.420 where: short stacking energy: -28.363 Base-Backbone interact. energy: -0.098 local terms energy: -30.784427 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -5.344 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: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -106.812728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.812728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.812728 (E_RNA) where: Base-Base interactions energy: -69.633 where: short stacking energy: -35.782 Base-Backbone interact. energy: -1.293 local terms energy: -35.887019 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -7.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -103.817118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.817118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.817118 (E_RNA) where: Base-Base interactions energy: -75.054 where: short stacking energy: -30.584 Base-Backbone interact. energy: -0.003 local terms energy: -28.760835 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -1.308 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: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -107.647268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.647268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.647268 (E_RNA) where: Base-Base interactions energy: -72.925 where: short stacking energy: -37.341 Base-Backbone interact. energy: -0.001 local terms energy: -34.721462 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: -7.695 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: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -111.355115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.355115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.355115 (E_RNA) where: Base-Base interactions energy: -81.272 where: short stacking energy: -34.157 Base-Backbone interact. energy: -0.008 local terms energy: -30.075449 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -2.281 tors. eta vs tors. theta energy: -5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -107.527650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.527650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.527650 (E_RNA) where: Base-Base interactions energy: -75.982 where: short stacking energy: -24.900 Base-Backbone interact. energy: -0.064 local terms energy: -31.481792 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -2.467 tors. eta vs tors. theta energy: -5.850 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: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -63.517996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.517996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.517996 (E_RNA) where: Base-Base interactions energy: -29.017 where: short stacking energy: -17.162 Base-Backbone interact. energy: -0.120 local terms energy: -34.380483 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -8.379 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -4.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -58.031484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.031484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.031484 (E_RNA) where: Base-Base interactions energy: -28.719 where: short stacking energy: -28.719 Base-Backbone interact. energy: -0.001 local terms energy: -29.311310 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -61.689849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.689849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.689849 (E_RNA) where: Base-Base interactions energy: -32.428 where: short stacking energy: -32.428 Base-Backbone interact. energy: -0.021 local terms energy: -29.241402 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -3.476 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -57.475028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.475028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.475028 (E_RNA) where: Base-Base interactions energy: -30.510 where: short stacking energy: -30.510 Base-Backbone interact. energy: -0.000 local terms energy: -26.965211 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -5.739 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: 1, replica: 2 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -98.565147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.565147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.565147 (E_RNA) where: Base-Base interactions energy: -63.001 where: short stacking energy: -28.402 Base-Backbone interact. energy: -0.512 local terms energy: -35.051919 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -5.227 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: 2, replica: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -100.834166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.834166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.834166 (E_RNA) where: Base-Base interactions energy: -67.497 where: short stacking energy: -35.405 Base-Backbone interact. energy: -0.022 local terms energy: -33.315299 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -7.615 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: 145 Temperature: 1.000000 Total energy: -107.825521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.825521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.825521 (E_RNA) where: Base-Base interactions energy: -71.329 where: short stacking energy: -34.319 Base-Backbone interact. energy: -0.006 local terms energy: -36.490315 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -4.279 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: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -115.459902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.459902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.459902 (E_RNA) where: Base-Base interactions energy: -85.279 where: short stacking energy: -34.595 Base-Backbone interact. energy: -0.176 local terms energy: -30.004825 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -1.903 tors. eta vs tors. theta energy: -6.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -101.403174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.403174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.403174 (E_RNA) where: Base-Base interactions energy: -66.669 where: short stacking energy: -28.327 Base-Backbone interact. energy: -1.755 local terms energy: -32.978475 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -4.997 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: 6, replica: 1 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -99.151825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.151825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.151825 (E_RNA) where: Base-Base interactions energy: -68.841 where: short stacking energy: -32.994 Base-Backbone interact. energy: -0.003 local terms energy: -30.307469 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -6.430 flat angles C4'-P-C4' energy: -7.337 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -67.199458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.199458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.199458 (E_RNA) where: Base-Base interactions energy: -34.783 where: short stacking energy: -25.113 Base-Backbone interact. energy: -0.072 local terms energy: -32.344954 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -4.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -51.101774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.101774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.101774 (E_RNA) where: Base-Base interactions energy: -21.324 where: short stacking energy: -21.324 Base-Backbone interact. energy: -0.000 local terms energy: -29.777785 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.768 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -5.176 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: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -50.803284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.803284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.803284 (E_RNA) where: Base-Base interactions energy: -16.227 where: short stacking energy: -16.227 Base-Backbone interact. energy: -0.010 local terms energy: -34.565966 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -5.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -49.511446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.511446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.511446 (E_RNA) where: Base-Base interactions energy: -21.651 where: short stacking energy: -20.245 Base-Backbone interact. energy: 0.594 local terms energy: -28.454894 where: bonds (distance) C4'-P energy: -6.426 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -107.916592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.916592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.916592 (E_RNA) where: Base-Base interactions energy: -78.556 where: short stacking energy: -35.845 Base-Backbone interact. energy: -0.145 local terms energy: -29.216467 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -0.654 tors. eta vs tors. theta energy: -6.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -108.965352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.965352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.965352 (E_RNA) where: Base-Base interactions energy: -74.358 where: short stacking energy: -35.390 Base-Backbone interact. energy: -0.420 local terms energy: -34.187599 where: bonds (distance) C4'-P energy: -5.771 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -113.937512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.937512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.937512 (E_RNA) where: Base-Base interactions energy: -84.450 where: short stacking energy: -34.310 Base-Backbone interact. energy: -0.033 local terms energy: -29.454616 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -2.702 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: 4, replica: 9 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -91.185427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.185427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.185427 (E_RNA) where: Base-Base interactions energy: -60.880 where: short stacking energy: -23.671 Base-Backbone interact. energy: 0.941 local terms energy: -31.246274 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -94.409765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.409765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.409765 (E_RNA) where: Base-Base interactions energy: -59.719 where: short stacking energy: -29.061 Base-Backbone interact. energy: -0.046 local terms energy: -34.644705 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -4.931 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: 6, replica: 10 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -97.607816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.607816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.607816 (E_RNA) where: Base-Base interactions energy: -64.666 where: short stacking energy: -31.723 Base-Backbone interact. energy: -0.990 local terms energy: -31.951758 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: -7.188 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: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -70.832577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.832577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.832577 (E_RNA) where: Base-Base interactions energy: -36.945 where: short stacking energy: -30.249 Base-Backbone interact. energy: -0.000 local terms energy: -33.887884 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -5.802 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -4.593 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: 8, replica: 8 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -56.892259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.892259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.892259 (E_RNA) where: Base-Base interactions energy: -31.530 where: short stacking energy: -26.029 Base-Backbone interact. energy: -0.000 local terms energy: -25.361919 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -5.662 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -3.134 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: 9, replica: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -58.761389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.761389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.761389 (E_RNA) where: Base-Base interactions energy: -28.552 where: short stacking energy: -28.552 Base-Backbone interact. energy: -0.037 local terms energy: -30.172685 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -3.386 tors. eta vs tors. theta energy: -6.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -58.976619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.976619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.976619 (E_RNA) where: Base-Base interactions energy: -29.096 where: short stacking energy: -30.396 Base-Backbone interact. energy: -0.004 local terms energy: -29.876053 where: bonds (distance) C4'-P energy: -4.488 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -3.317 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: 1, replica: 6 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -109.841946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.841946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.841946 (E_RNA) where: Base-Base interactions energy: -70.819 where: short stacking energy: -36.291 Base-Backbone interact. energy: -0.105 local terms energy: -38.917474 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: -8.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -115.047707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.047707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.047707 (E_RNA) where: Base-Base interactions energy: -88.071 where: short stacking energy: -33.088 Base-Backbone interact. energy: -0.345 local terms energy: -26.631716 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -0.733 tors. eta vs tors. theta energy: -3.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -111.107913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.107913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.107913 (E_RNA) where: Base-Base interactions energy: -71.010 where: short stacking energy: -34.878 Base-Backbone interact. energy: -1.553 local terms energy: -38.544767 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -6.344 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: 4, replica: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -100.649080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.649080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.649080 (E_RNA) where: Base-Base interactions energy: -67.891 where: short stacking energy: -31.408 Base-Backbone interact. energy: -0.265 local terms energy: -32.493530 where: bonds (distance) C4'-P energy: -5.146 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -99.773624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.773624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.773624 (E_RNA) where: Base-Base interactions energy: -66.963 where: short stacking energy: -36.015 Base-Backbone interact. energy: -0.000 local terms energy: -32.810372 where: bonds (distance) C4'-P energy: -3.895 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -8.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -55.463888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.463888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.463888 (E_RNA) where: Base-Base interactions energy: -27.295 where: short stacking energy: -17.573 Base-Backbone interact. energy: -0.004 local terms energy: -28.165139 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -3.907 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: 7, replica: 10 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -101.111850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.111850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.111850 (E_RNA) where: Base-Base interactions energy: -63.267 where: short stacking energy: -32.674 Base-Backbone interact. energy: -1.873 local terms energy: -35.972144 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -7.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -62.181564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.181564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.181564 (E_RNA) where: Base-Base interactions energy: -30.122 where: short stacking energy: -29.214 Base-Backbone interact. energy: -0.118 local terms energy: -31.941175 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -4.340 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: 9, replica: 8 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -49.378396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.378396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.378396 (E_RNA) where: Base-Base interactions energy: -24.922 where: short stacking energy: -11.122 Base-Backbone interact. energy: -0.020 local terms energy: -24.436776 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: 1.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -61.412125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.412125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.412125 (E_RNA) where: Base-Base interactions energy: -47.052 where: short stacking energy: -17.652 Base-Backbone interact. energy: -0.368 local terms energy: -13.991748 where: bonds (distance) C4'-P energy: -1.009 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: 0.056 flat angles P-C4'-P energy: -1.754 tors. eta vs tors. theta energy: -4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -117.722435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.722435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.722435 (E_RNA) where: Base-Base interactions energy: -88.216 where: short stacking energy: -37.165 Base-Backbone interact. energy: -0.015 local terms energy: -29.491670 where: bonds (distance) C4'-P energy: -8.487 bonds (distance) P-C4' energy: -3.857 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -3.620 tors. eta vs tors. theta energy: -6.829 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: 2, replica: 6 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -107.422093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.422093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.422093 (E_RNA) where: Base-Base interactions energy: -69.225 where: short stacking energy: -33.856 Base-Backbone interact. energy: -0.740 local terms energy: -37.456680 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -4.895 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: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -99.753834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.753834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.753834 (E_RNA) where: Base-Base interactions energy: -64.910 where: short stacking energy: -33.400 Base-Backbone interact. energy: -0.008 local terms energy: -34.836102 where: bonds (distance) C4'-P energy: -5.850 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -6.499 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: 4, replica: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -98.594509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.594509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.594509 (E_RNA) where: Base-Base interactions energy: -70.213 where: short stacking energy: -26.227 Base-Backbone interact. energy: -0.084 local terms energy: -28.297702 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -3.763 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: 5, replica: 1 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -99.675659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.675659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.675659 (E_RNA) where: Base-Base interactions energy: -69.066 where: short stacking energy: -37.982 Base-Backbone interact. energy: 0.626 local terms energy: -31.236022 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -5.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -66.784619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.784619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.784619 (E_RNA) where: Base-Base interactions energy: -33.436 where: short stacking energy: -33.436 Base-Backbone interact. energy: -0.000 local terms energy: -33.348149 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -8.455 flat angles P-C4'-P energy: 0.188 tors. eta vs tors. theta energy: -9.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -89.877595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.877595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.877595 (E_RNA) where: Base-Base interactions energy: -60.905 where: short stacking energy: -25.285 Base-Backbone interact. energy: -0.007 local terms energy: -28.965360 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -1.183 tors. eta vs tors. theta energy: -3.871 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: 3 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -55.659922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.659922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.659922 (E_RNA) where: Base-Base interactions energy: -22.362 where: short stacking energy: -22.362 Base-Backbone interact. energy: -0.001 local terms energy: -33.297476 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -8.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -51.239988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.239988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.239988 (E_RNA) where: Base-Base interactions energy: -26.330 where: short stacking energy: -15.792 Base-Backbone interact. energy: -0.164 local terms energy: -24.745865 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -6.113 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -0.060 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: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -58.611917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.611917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.611917 (E_RNA) where: Base-Base interactions energy: -32.817 where: short stacking energy: -20.124 Base-Backbone interact. energy: -0.015 local terms energy: -25.779697 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -1.741 tors. eta vs tors. theta energy: -4.646 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: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -104.960316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.960316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.960316 (E_RNA) where: Base-Base interactions energy: -74.568 where: short stacking energy: -31.597 Base-Backbone interact. energy: -0.003 local terms energy: -30.388903 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: -2.034 tors. eta vs tors. theta energy: -3.697 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: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -101.886105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.886105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.886105 (E_RNA) where: Base-Base interactions energy: -73.187 where: short stacking energy: -25.771 Base-Backbone interact. energy: -0.148 local terms energy: -28.550385 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -2.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -109.858056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.858056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.858056 (E_RNA) where: Base-Base interactions energy: -76.583 where: short stacking energy: -33.153 Base-Backbone interact. energy: -0.011 local terms energy: -33.264858 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -5.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -102.884444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.884444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.884444 (E_RNA) where: Base-Base interactions energy: -66.248 where: short stacking energy: -32.950 Base-Backbone interact. energy: -1.757 local terms energy: -34.880000 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -7.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -96.556178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.556178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.556178 (E_RNA) where: Base-Base interactions energy: -65.083 where: short stacking energy: -32.315 Base-Backbone interact. energy: -0.171 local terms energy: -31.302612 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -5.228 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: 6, replica: 10 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -99.908044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.908044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.908044 (E_RNA) where: Base-Base interactions energy: -65.565 where: short stacking energy: -32.030 Base-Backbone interact. energy: -0.122 local terms energy: -34.220656 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -5.724 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: 149 Temperature: 1.200000 Total energy: -60.838973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.838973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.838973 (E_RNA) where: Base-Base interactions energy: -35.018 where: short stacking energy: -19.595 Base-Backbone interact. energy: -0.028 local terms energy: -25.792978 where: bonds (distance) C4'-P energy: -5.592 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -0.871 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -74.038669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.038669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.038669 (E_RNA) where: Base-Base interactions energy: -41.409 where: short stacking energy: -41.409 Base-Backbone interact. energy: -0.000 local terms energy: -32.629364 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -4.468 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -3.841 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: 9, replica: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -57.111020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.111020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.111020 (E_RNA) where: Base-Base interactions energy: -26.347 where: short stacking energy: -26.347 Base-Backbone interact. energy: -0.001 local terms energy: -30.762350 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -4.004 tors. eta vs tors. theta energy: -6.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -49.348361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.348361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.348361 (E_RNA) where: Base-Base interactions energy: -22.943 where: short stacking energy: -22.943 Base-Backbone interact. energy: -0.008 local terms energy: -26.397631 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -8.758 flat angles P-C4'-P energy: -4.329 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: 1, replica: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -106.089946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.089946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.089946 (E_RNA) where: Base-Base interactions energy: -70.958 where: short stacking energy: -35.043 Base-Backbone interact. energy: -0.030 local terms energy: -35.101412 where: bonds (distance) C4'-P energy: -6.070 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -5.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -102.486914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.486914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.486914 (E_RNA) where: Base-Base interactions energy: -69.838 where: short stacking energy: -25.493 Base-Backbone interact. energy: -0.472 local terms energy: -32.176823 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -5.057 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: 3, replica: 1 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -106.483913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.483913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.483913 (E_RNA) where: Base-Base interactions energy: -71.827 where: short stacking energy: -35.816 Base-Backbone interact. energy: -1.448 local terms energy: -33.208557 where: bonds (distance) C4'-P energy: -3.522 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -7.189 tors. eta vs tors. theta energy: -7.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -109.093513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.093513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.093513 (E_RNA) where: Base-Base interactions energy: -76.677 where: short stacking energy: -35.908 Base-Backbone interact. energy: -0.005 local terms energy: -32.411616 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -8.513 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -6.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -104.177714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.177714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.177714 (E_RNA) where: Base-Base interactions energy: -71.078 where: short stacking energy: -34.428 Base-Backbone interact. energy: -0.023 local terms energy: -33.077322 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -5.040 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: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -64.592184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.592184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.592184 (E_RNA) where: Base-Base interactions energy: -26.949 where: short stacking energy: -21.893 Base-Backbone interact. energy: -0.000 local terms energy: -37.643408 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -6.012 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: 7, replica: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -65.222688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.222688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.222688 (E_RNA) where: Base-Base interactions energy: -35.172 where: short stacking energy: -20.806 Base-Backbone interact. energy: 0.206 local terms energy: -30.257182 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -65.358269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.358269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.358269 (E_RNA) where: Base-Base interactions energy: -41.110 where: short stacking energy: -27.002 Base-Backbone interact. energy: -0.126 local terms energy: -24.122482 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -2.443 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -49.203179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.203179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.203179 (E_RNA) where: Base-Base interactions energy: -21.907 where: short stacking energy: -20.148 Base-Backbone interact. energy: -0.128 local terms energy: -27.168854 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -1.966 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: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -50.322302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.322302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.322302 (E_RNA) where: Base-Base interactions energy: -22.027 where: short stacking energy: -18.362 Base-Backbone interact. energy: -0.572 local terms energy: -27.724087 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: -0.216 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: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -100.372599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.372599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.372599 (E_RNA) where: Base-Base interactions energy: -70.016 where: short stacking energy: -30.832 Base-Backbone interact. energy: -0.846 local terms energy: -29.510782 where: bonds (distance) C4'-P energy: -3.941 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -4.027 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: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -104.533265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.533265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.533265 (E_RNA) where: Base-Base interactions energy: -74.030 where: short stacking energy: -36.435 Base-Backbone interact. energy: -0.219 local terms energy: -30.283925 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -5.679 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -5.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -96.410129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.410129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.410129 (E_RNA) where: Base-Base interactions energy: -67.668 where: short stacking energy: -30.541 Base-Backbone interact. energy: 0.238 local terms energy: -28.979728 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -6.920 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -3.576 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: 4, replica: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -104.859568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.859568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.859568 (E_RNA) where: Base-Base interactions energy: -72.229 where: short stacking energy: -36.284 Base-Backbone interact. energy: -0.824 local terms energy: -31.806479 where: bonds (distance) C4'-P energy: -3.759 bonds (distance) P-C4' energy: -4.705 flat angles C4'-P-C4' energy: -8.575 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -8.855 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: 5, replica: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -99.701353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.701353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.701353 (E_RNA) where: Base-Base interactions energy: -70.574 where: short stacking energy: -35.296 Base-Backbone interact. energy: -0.028 local terms energy: -29.099367 where: bonds (distance) C4'-P energy: -5.279 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -4.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -60.116393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.116393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.116393 (E_RNA) where: Base-Base interactions energy: -26.801 where: short stacking energy: -26.801 Base-Backbone interact. energy: -0.000 local terms energy: -33.315525 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -63.850311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.850311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.850311 (E_RNA) where: Base-Base interactions energy: -29.829 where: short stacking energy: -29.829 Base-Backbone interact. energy: -0.005 local terms energy: -34.016235 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -8.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -73.701848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.701848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.701848 (E_RNA) where: Base-Base interactions energy: -44.418 where: short stacking energy: -25.446 Base-Backbone interact. energy: -0.077 local terms energy: -29.207187 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -55.606659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.606659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.606659 (E_RNA) where: Base-Base interactions energy: -26.364 where: short stacking energy: -22.488 Base-Backbone interact. energy: -0.039 local terms energy: -29.204053 where: bonds (distance) C4'-P energy: -4.484 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -61.306935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.306935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.306935 (E_RNA) where: Base-Base interactions energy: -28.567 where: short stacking energy: -28.567 Base-Backbone interact. energy: -0.001 local terms energy: -32.738595 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -6.386 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: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -110.208319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.208319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.208319 (E_RNA) where: Base-Base interactions energy: -71.598 where: short stacking energy: -36.654 Base-Backbone interact. energy: -0.617 local terms energy: -37.993073 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -8.079 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: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -101.977848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.977848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.977848 (E_RNA) where: Base-Base interactions energy: -69.455 where: short stacking energy: -30.056 Base-Backbone interact. energy: -0.003 local terms energy: -32.519402 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -4.027 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: 3, replica: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -104.330924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.330924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.330924 (E_RNA) where: Base-Base interactions energy: -75.053 where: short stacking energy: -33.140 Base-Backbone interact. energy: -0.002 local terms energy: -29.276746 where: bonds (distance) C4'-P energy: -5.621 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -103.755249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.755249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.755249 (E_RNA) where: Base-Base interactions energy: -71.089 where: short stacking energy: -29.811 Base-Backbone interact. energy: -0.082 local terms energy: -32.583773 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: -5.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -103.990448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.990448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.990448 (E_RNA) where: Base-Base interactions energy: -76.869 where: short stacking energy: -31.528 Base-Backbone interact. energy: -0.073 local terms energy: -27.048623 where: bonds (distance) C4'-P energy: -3.586 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -2.517 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: 6, replica: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -60.381032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.381032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.381032 (E_RNA) where: Base-Base interactions energy: -25.663 where: short stacking energy: -27.163 Base-Backbone interact. energy: -0.350 local terms energy: -34.368391 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -7.918 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -5.479 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: 7, replica: 8 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -61.024664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.024664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.024664 (E_RNA) where: Base-Base interactions energy: -26.332 where: short stacking energy: -16.984 Base-Backbone interact. energy: -0.021 local terms energy: -34.671060 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -5.194 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: 8, replica: 2 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -53.743509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.743509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.743509 (E_RNA) where: Base-Base interactions energy: -25.531 where: short stacking energy: -25.531 Base-Backbone interact. energy: -0.001 local terms energy: -28.212201 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -4.192 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: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -59.115104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.115104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.115104 (E_RNA) where: Base-Base interactions energy: -28.989 where: short stacking energy: -26.619 Base-Backbone interact. energy: -0.000 local terms energy: -30.125854 where: bonds (distance) C4'-P energy: -4.305 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: -0.710 tors. eta vs tors. theta energy: -7.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -52.815671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.815671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.815671 (E_RNA) where: Base-Base interactions energy: -23.759 where: short stacking energy: -19.718 Base-Backbone interact. energy: -0.017 local terms energy: -29.040047 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -111.142065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.142065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.142065 (E_RNA) where: Base-Base interactions energy: -73.129 where: short stacking energy: -35.547 Base-Backbone interact. energy: -0.131 local terms energy: -37.882687 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -8.224 flat angles C4'-P-C4' energy: -8.732 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -8.812 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: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -117.426204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.426204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.426204 (E_RNA) where: Base-Base interactions energy: -88.198 where: short stacking energy: -41.550 Base-Backbone interact. energy: -0.039 local terms energy: -29.188837 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -0.046 tors. eta vs tors. theta energy: -7.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -100.236357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.236357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.236357 (E_RNA) where: Base-Base interactions energy: -71.178 where: short stacking energy: -30.009 Base-Backbone interact. energy: -0.076 local terms energy: -28.982202 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: 1.959 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: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -114.654904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.654904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.654904 (E_RNA) where: Base-Base interactions energy: -87.125 where: short stacking energy: -38.465 Base-Backbone interact. energy: -0.006 local terms energy: -27.523443 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -1.718 tors. eta vs tors. theta energy: -5.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -102.449792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.449792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.449792 (E_RNA) where: Base-Base interactions energy: -68.548 where: short stacking energy: -34.092 Base-Backbone interact. energy: -1.067 local terms energy: -32.835147 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -6.679 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: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -69.982846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.982846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.982846 (E_RNA) where: Base-Base interactions energy: -36.508 where: short stacking energy: -28.925 Base-Backbone interact. energy: -1.251 local terms energy: -32.223986 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -7.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -73.480406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.480406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.480406 (E_RNA) where: Base-Base interactions energy: -43.089 where: short stacking energy: -29.295 Base-Backbone interact. energy: -0.016 local terms energy: -30.374937 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -4.899 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: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -54.115754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.115754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.115754 (E_RNA) where: Base-Base interactions energy: -23.796 where: short stacking energy: -21.292 Base-Backbone interact. energy: -0.045 local terms energy: -30.274498 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -52.460610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.460610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.460610 (E_RNA) where: Base-Base interactions energy: -22.599 where: short stacking energy: -14.720 Base-Backbone interact. energy: -0.056 local terms energy: -29.805509 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -1.766 tors. eta vs tors. theta energy: -4.531 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: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -56.612802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.612802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.612802 (E_RNA) where: Base-Base interactions energy: -26.825 where: short stacking energy: -26.825 Base-Backbone interact. energy: -0.001 local terms energy: -29.786994 where: bonds (distance) C4'-P energy: -1.979 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -8.660 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -6.233 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: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -108.222645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.222645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.222645 (E_RNA) where: Base-Base interactions energy: -70.977 where: short stacking energy: -36.212 Base-Backbone interact. energy: -0.037 local terms energy: -37.209113 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -7.294 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: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -108.874747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.874747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.874747 (E_RNA) where: Base-Base interactions energy: -77.521 where: short stacking energy: -30.489 Base-Backbone interact. energy: -0.034 local terms energy: -31.320120 where: bonds (distance) C4'-P energy: -5.511 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -1.843 tors. eta vs tors. theta energy: -8.245 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: 10 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -114.660120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.660120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.660120 (E_RNA) where: Base-Base interactions energy: -84.406 where: short stacking energy: -34.533 Base-Backbone interact. energy: -0.589 local terms energy: -29.664968 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -6.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -99.204781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.204781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.204781 (E_RNA) where: Base-Base interactions energy: -66.890 where: short stacking energy: -29.440 Base-Backbone interact. energy: -0.106 local terms energy: -32.208955 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.523 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -1.025 tors. eta vs tors. theta energy: -8.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -67.859603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.859603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.859603 (E_RNA) where: Base-Base interactions energy: -34.305 where: short stacking energy: -27.838 Base-Backbone interact. energy: -0.000 local terms energy: -33.555087 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -7.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -103.249129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.249129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.249129 (E_RNA) where: Base-Base interactions energy: -69.450 where: short stacking energy: -31.391 Base-Backbone interact. energy: -0.043 local terms energy: -33.756030 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -5.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -63.477030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.477030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.477030 (E_RNA) where: Base-Base interactions energy: -34.901 where: short stacking energy: -24.292 Base-Backbone interact. energy: -0.962 local terms energy: -27.614001 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -3.307 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: 3 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -58.386426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.386426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.386426 (E_RNA) where: Base-Base interactions energy: -29.005 where: short stacking energy: -29.005 Base-Backbone interact. energy: -0.054 local terms energy: -29.327143 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -6.119 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -3.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -57.158610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.158610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.158610 (E_RNA) where: Base-Base interactions energy: -24.175 where: short stacking energy: -24.175 Base-Backbone interact. energy: -0.059 local terms energy: -32.925308 where: bonds (distance) C4'-P energy: -5.182 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -6.026 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -49.257267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.257267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.257267 (E_RNA) where: Base-Base interactions energy: -20.172 where: short stacking energy: -20.172 Base-Backbone interact. energy: -0.072 local terms energy: -29.013108 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -3.346 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: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -106.905716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.905716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.905716 (E_RNA) where: Base-Base interactions energy: -68.315 where: short stacking energy: -34.261 Base-Backbone interact. energy: -1.582 local terms energy: -37.008822 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.727 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -6.697 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: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -112.402015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.402015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.402015 (E_RNA) where: Base-Base interactions energy: -72.250 where: short stacking energy: -36.129 Base-Backbone interact. energy: -1.942 local terms energy: -38.209703 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -6.722 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: 10 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -105.635389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.635389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.635389 (E_RNA) where: Base-Base interactions energy: -82.173 where: short stacking energy: -33.657 Base-Backbone interact. energy: -0.017 local terms energy: -23.445889 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -2.141 tors. eta vs tors. theta energy: -3.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -100.554551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.554551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.554551 (E_RNA) where: Base-Base interactions energy: -67.631 where: short stacking energy: -35.206 Base-Backbone interact. energy: -0.535 local terms energy: -32.388028 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -6.082 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -5.859 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: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -60.960149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.960149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.960149 (E_RNA) where: Base-Base interactions energy: -23.678 where: short stacking energy: -23.678 Base-Backbone interact. energy: -0.794 local terms energy: -36.488194 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -6.735 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: 6, replica: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -102.639833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.639833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.639833 (E_RNA) where: Base-Base interactions energy: -71.149 where: short stacking energy: -34.751 Base-Backbone interact. energy: -1.457 local terms energy: -30.034016 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -6.607 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: 7, replica: 7 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -59.068589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.068589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.068589 (E_RNA) where: Base-Base interactions energy: -32.422 where: short stacking energy: -25.765 Base-Backbone interact. energy: -0.003 local terms energy: -26.643997 where: bonds (distance) C4'-P energy: -5.066 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -4.770 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: 8, replica: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -64.840675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.840675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.840675 (E_RNA) where: Base-Base interactions energy: -33.903 where: short stacking energy: -21.185 Base-Backbone interact. energy: -0.195 local terms energy: -30.743048 where: bonds (distance) C4'-P energy: -7.252 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -6.390 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -45.906223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.906223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.906223 (E_RNA) where: Base-Base interactions energy: -22.390 where: short stacking energy: -22.390 Base-Backbone interact. energy: -0.336 local terms energy: -23.180331 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -0.829 tors. eta vs tors. theta energy: -0.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -57.228755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.228755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.228755 (E_RNA) where: Base-Base interactions energy: -27.927 where: short stacking energy: -13.480 Base-Backbone interact. energy: -0.004 local terms energy: -29.297776 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -111.191832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.191832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.191832 (E_RNA) where: Base-Base interactions energy: -70.178 where: short stacking energy: -36.022 Base-Backbone interact. energy: -1.688 local terms energy: -39.325685 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -8.760 flat angles P-C4'-P energy: -6.185 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: 2, replica: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -108.547597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.547597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.547597 (E_RNA) where: Base-Base interactions energy: -71.765 where: short stacking energy: -34.636 Base-Backbone interact. energy: -0.001 local terms energy: -36.781176 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -8.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -109.952431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.952431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.952431 (E_RNA) where: Base-Base interactions energy: -79.116 where: short stacking energy: -32.967 Base-Backbone interact. energy: -0.008 local terms energy: -30.828514 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -1.238 tors. eta vs tors. theta energy: -4.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -115.927040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.927040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.927040 (E_RNA) where: Base-Base interactions energy: -84.133 where: short stacking energy: -34.537 Base-Backbone interact. energy: -0.131 local terms energy: -31.663209 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -0.765 tors. eta vs tors. theta energy: -5.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -96.312296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.312296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.312296 (E_RNA) where: Base-Base interactions energy: -62.980 where: short stacking energy: -25.480 Base-Backbone interact. energy: -0.004 local terms energy: -33.329097 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -6.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -70.330071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.330071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.330071 (E_RNA) where: Base-Base interactions energy: -34.937 where: short stacking energy: -34.937 Base-Backbone interact. energy: -0.036 local terms energy: -35.357056 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -6.709 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -8.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -63.105169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.105169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.105169 (E_RNA) where: Base-Base interactions energy: -37.550 where: short stacking energy: -24.730 Base-Backbone interact. energy: -0.124 local terms energy: -25.430937 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -3.955 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: 8, replica: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -53.313965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.313965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.313965 (E_RNA) where: Base-Base interactions energy: -23.562 where: short stacking energy: -23.562 Base-Backbone interact. energy: -0.018 local terms energy: -29.733677 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -95.455904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.455904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.455904 (E_RNA) where: Base-Base interactions energy: -68.262 where: short stacking energy: -30.166 Base-Backbone interact. energy: 0.014 local terms energy: -27.207582 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -4.097 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -4.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -50.119505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.119505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.119505 (E_RNA) where: Base-Base interactions energy: -23.092 where: short stacking energy: -12.090 Base-Backbone interact. energy: -0.100 local terms energy: -26.926799 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -113.177699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.177699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.177699 (E_RNA) where: Base-Base interactions energy: -74.614 where: short stacking energy: -34.122 Base-Backbone interact. energy: -0.002 local terms energy: -38.561983 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -8.957 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: 5 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -117.521625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.521625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.521625 (E_RNA) where: Base-Base interactions energy: -84.919 where: short stacking energy: -37.099 Base-Backbone interact. energy: -0.002 local terms energy: -32.599860 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -1.056 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: 3, replica: 1 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -107.097888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.097888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.097888 (E_RNA) where: Base-Base interactions energy: -74.824 where: short stacking energy: -32.230 Base-Backbone interact. energy: -0.009 local terms energy: -32.264855 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -7.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -113.248603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.248603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.248603 (E_RNA) where: Base-Base interactions energy: -85.746 where: short stacking energy: -34.081 Base-Backbone interact. energy: 0.132 local terms energy: -27.634357 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -8.523 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -0.480 tors. eta vs tors. theta energy: -5.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -102.217757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.217757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.217757 (E_RNA) where: Base-Base interactions energy: -70.982 where: short stacking energy: -34.603 Base-Backbone interact. energy: -1.256 local terms energy: -29.979237 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -5.932 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -4.860 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: 6, replica: 7 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -69.106131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.106131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.106131 (E_RNA) where: Base-Base interactions energy: -43.052 where: short stacking energy: -15.323 Base-Backbone interact. energy: -0.121 local terms energy: -25.933007 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -59.629285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.629285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.629285 (E_RNA) where: Base-Base interactions energy: -26.726 where: short stacking energy: -26.726 Base-Backbone interact. energy: -0.024 local terms energy: -32.878697 where: bonds (distance) C4'-P energy: -7.546 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -5.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -94.293927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.293927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.293927 (E_RNA) where: Base-Base interactions energy: -64.851 where: short stacking energy: -30.125 Base-Backbone interact. energy: -0.605 local terms energy: -28.837522 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -3.898 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -6.457 tors. eta vs tors. theta energy: -6.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -62.350191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.350191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.350191 (E_RNA) where: Base-Base interactions energy: -33.710 where: short stacking energy: -25.872 Base-Backbone interact. energy: -0.078 local terms energy: -28.562566 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -51.669464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.669464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.669464 (E_RNA) where: Base-Base interactions energy: -26.990 where: short stacking energy: -13.660 Base-Backbone interact. energy: -0.019 local terms energy: -24.660414 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: 0.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -109.931640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.931640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.931640 (E_RNA) where: Base-Base interactions energy: -70.559 where: short stacking energy: -35.479 Base-Backbone interact. energy: -1.648 local terms energy: -37.724477 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -7.027 tors. eta vs tors. theta energy: -9.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -113.061943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.061943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.061943 (E_RNA) where: Base-Base interactions energy: -80.596 where: short stacking energy: -31.205 Base-Backbone interact. energy: -0.024 local terms energy: -32.442287 where: bonds (distance) C4'-P energy: -7.062 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -3.847 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: 3, replica: 1 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -110.387393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.387393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.387393 (E_RNA) where: Base-Base interactions energy: -74.230 where: short stacking energy: -36.864 Base-Backbone interact. energy: -2.383 local terms energy: -33.774338 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -5.693 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: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -104.075601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.075601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.075601 (E_RNA) where: Base-Base interactions energy: -68.783 where: short stacking energy: -32.230 Base-Backbone interact. energy: -0.050 local terms energy: -35.242611 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.766 flat angles P-C4'-P energy: -5.257 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: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -99.148946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.148946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.148946 (E_RNA) where: Base-Base interactions energy: -64.942 where: short stacking energy: -31.587 Base-Backbone interact. energy: -1.686 local terms energy: -32.521526 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -7.172 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -74.108386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.108386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.108386 (E_RNA) where: Base-Base interactions energy: -38.815 where: short stacking energy: -31.967 Base-Backbone interact. energy: -0.017 local terms energy: -35.276368 where: bonds (distance) C4'-P energy: -5.875 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.835 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -8.301 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: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -85.473117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.473117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.473117 (E_RNA) where: Base-Base interactions energy: -57.621 where: short stacking energy: -28.259 Base-Backbone interact. energy: 0.139 local terms energy: -27.990883 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -54.409779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.409779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.409779 (E_RNA) where: Base-Base interactions energy: -23.587 where: short stacking energy: -23.587 Base-Backbone interact. energy: -0.000 local terms energy: -30.822700 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -71.388916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.388916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.388916 (E_RNA) where: Base-Base interactions energy: -45.903 where: short stacking energy: -18.047 Base-Backbone interact. energy: -0.099 local terms energy: -25.386985 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -3.598 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: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -55.595854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.595854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.595854 (E_RNA) where: Base-Base interactions energy: -24.728 where: short stacking energy: -24.728 Base-Backbone interact. energy: -0.000 local terms energy: -30.867968 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -5.400 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -109.459632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.459632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.459632 (E_RNA) where: Base-Base interactions energy: -72.067 where: short stacking energy: -37.371 Base-Backbone interact. energy: -1.184 local terms energy: -36.208796 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -6.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -108.455226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.455226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.455226 (E_RNA) where: Base-Base interactions energy: -71.415 where: short stacking energy: -36.128 Base-Backbone interact. energy: -1.153 local terms energy: -35.887296 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.058 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -6.161 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: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -107.061071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.061071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.061071 (E_RNA) where: Base-Base interactions energy: -70.105 where: short stacking energy: -33.780 Base-Backbone interact. energy: -0.436 local terms energy: -36.520283 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -5.302 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: 4, replica: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -101.441097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.441097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.441097 (E_RNA) where: Base-Base interactions energy: -72.267 where: short stacking energy: -36.692 Base-Backbone interact. energy: -0.355 local terms energy: -28.818840 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -1.361 tors. eta vs tors. theta energy: -6.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -102.238754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.238754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.238754 (E_RNA) where: Base-Base interactions energy: -69.154 where: short stacking energy: -32.557 Base-Backbone interact. energy: -0.009 local terms energy: -33.075943 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -5.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -64.303606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.303606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.303606 (E_RNA) where: Base-Base interactions energy: -34.215 where: short stacking energy: -34.215 Base-Backbone interact. energy: 1.512 local terms energy: -31.600664 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.067 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -4.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -60.346612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.346612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.346612 (E_RNA) where: Base-Base interactions energy: -29.166 where: short stacking energy: -29.166 Base-Backbone interact. energy: -0.077 local terms energy: -31.103653 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -5.911 flat angles P-C4'-P energy: -4.928 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: 8, replica: 3 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -63.084500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.084500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.084500 (E_RNA) where: Base-Base interactions energy: -31.214 where: short stacking energy: -31.214 Base-Backbone interact. energy: -0.005 local terms energy: -31.865422 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.586 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -6.428 tors. eta vs tors. theta energy: -5.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -59.736064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.736064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.736064 (E_RNA) where: Base-Base interactions energy: -33.668 where: short stacking energy: -15.782 Base-Backbone interact. energy: -0.018 local terms energy: -26.050374 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -54.464135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.464135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.464135 (E_RNA) where: Base-Base interactions energy: -30.786 where: short stacking energy: -30.786 Base-Backbone interact. energy: -0.072 local terms energy: -23.606140 where: bonds (distance) C4'-P energy: -3.407 bonds (distance) P-C4' energy: -3.959 flat angles C4'-P-C4' energy: -3.102 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -7.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -108.600008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.600008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.600008 (E_RNA) where: Base-Base interactions energy: -70.644 where: short stacking energy: -34.156 Base-Backbone interact. energy: -2.128 local terms energy: -35.828231 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -6.194 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: 2, replica: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -106.697560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.697560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.697560 (E_RNA) where: Base-Base interactions energy: -69.403 where: short stacking energy: -35.224 Base-Backbone interact. energy: -0.921 local terms energy: -36.373213 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -7.449 tors. eta vs tors. theta energy: -6.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -105.453524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.453524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.453524 (E_RNA) where: Base-Base interactions energy: -67.595 where: short stacking energy: -33.676 Base-Backbone interact. energy: -1.677 local terms energy: -36.181940 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -5.879 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: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -103.315136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.315136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.315136 (E_RNA) where: Base-Base interactions energy: -70.362 where: short stacking energy: -36.838 Base-Backbone interact. energy: -0.006 local terms energy: -32.946645 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.986 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -6.790 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: 5, replica: 10 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -100.502681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.502681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.502681 (E_RNA) where: Base-Base interactions energy: -66.933 where: short stacking energy: -33.451 Base-Backbone interact. energy: -0.142 local terms energy: -33.427385 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -6.253 tors. eta vs tors. theta energy: -6.583 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: 6, replica: 7 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -87.014162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.014162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.014162 (E_RNA) where: Base-Base interactions energy: -55.221 where: short stacking energy: -26.112 Base-Backbone interact. energy: 0.165 local terms energy: -31.958676 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -4.216 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: 7, replica: 3 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -63.494684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.494684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.494684 (E_RNA) where: Base-Base interactions energy: -32.007 where: short stacking energy: -32.007 Base-Backbone interact. energy: -0.006 local terms energy: -31.482160 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -5.914 flat angles C4'-P-C4' energy: -8.296 flat angles P-C4'-P energy: -7.024 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: 8, replica: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -46.647937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.647937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.647937 (E_RNA) where: Base-Base interactions energy: -16.215 where: short stacking energy: -16.215 Base-Backbone interact. energy: -0.356 local terms energy: -30.076929 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -3.436 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: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -62.788063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.788063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.788063 (E_RNA) where: Base-Base interactions energy: -31.832 where: short stacking energy: -31.832 Base-Backbone interact. energy: -0.129 local terms energy: -30.827259 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -4.029 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: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -49.953071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.953071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.953071 (E_RNA) where: Base-Base interactions energy: -25.929 where: short stacking energy: -15.220 Base-Backbone interact. energy: -0.104 local terms energy: -23.920872 where: bonds (distance) C4'-P energy: -3.726 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -109.359774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.359774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.359774 (E_RNA) where: Base-Base interactions energy: -70.755 where: short stacking energy: -34.726 Base-Backbone interact. energy: -0.491 local terms energy: -38.113457 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: -7.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -105.034322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.034322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.034322 (E_RNA) where: Base-Base interactions energy: -67.350 where: short stacking energy: -35.920 Base-Backbone interact. energy: -0.244 local terms energy: -37.440080 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -6.441 tors. eta vs tors. theta energy: -7.496 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: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -99.404320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.404320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.404320 (E_RNA) where: Base-Base interactions energy: -65.004 where: short stacking energy: -32.837 Base-Backbone interact. energy: -0.007 local terms energy: -34.393174 where: bonds (distance) C4'-P energy: -6.548 bonds (distance) P-C4' energy: -6.736 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -7.628 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: 161 Temperature: 1.050000 Total energy: -95.131051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.131051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.131051 (E_RNA) where: Base-Base interactions energy: -66.117 where: short stacking energy: -32.910 Base-Backbone interact. energy: -0.017 local terms energy: -28.997085 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -111.624921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.624921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.624921 (E_RNA) where: Base-Base interactions energy: -79.992 where: short stacking energy: -32.787 Base-Backbone interact. energy: -0.007 local terms energy: -31.626001 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -60.995727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.995727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.995727 (E_RNA) where: Base-Base interactions energy: -29.702 where: short stacking energy: -18.858 Base-Backbone interact. energy: -0.052 local terms energy: -31.241306 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -6.468 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: 7 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -91.777685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.777685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.777685 (E_RNA) where: Base-Base interactions energy: -58.081 where: short stacking energy: -23.079 Base-Backbone interact. energy: -0.072 local terms energy: -33.624747 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -9.064 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -94.039387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.039387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.039387 (E_RNA) where: Base-Base interactions energy: -57.859 where: short stacking energy: -28.611 Base-Backbone interact. energy: -0.091 local terms energy: -36.090043 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -6.870 flat angles C4'-P-C4' energy: -8.469 flat angles P-C4'-P energy: -4.602 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: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -52.431682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.431682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.431682 (E_RNA) where: Base-Base interactions energy: -25.688 where: short stacking energy: -18.640 Base-Backbone interact. energy: -0.349 local terms energy: -26.394859 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -3.697 tors. eta vs tors. theta energy: -2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -48.639057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.639057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.639057 (E_RNA) where: Base-Base interactions energy: -18.136 where: short stacking energy: -16.886 Base-Backbone interact. energy: -0.007 local terms energy: -30.495613 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -4.008 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: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -104.625851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.625851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.625851 (E_RNA) where: Base-Base interactions energy: -71.151 where: short stacking energy: -34.491 Base-Backbone interact. energy: -0.000 local terms energy: -33.475025 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -7.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -110.495897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.495897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.495897 (E_RNA) where: Base-Base interactions energy: -71.567 where: short stacking energy: -34.990 Base-Backbone interact. energy: -0.305 local terms energy: -38.624025 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -8.984 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: 10 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -105.895218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.895218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.895218 (E_RNA) where: Base-Base interactions energy: -70.933 where: short stacking energy: -34.540 Base-Backbone interact. energy: -0.027 local terms energy: -34.935304 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -7.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -101.383586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.383586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.383586 (E_RNA) where: Base-Base interactions energy: -66.746 where: short stacking energy: -32.995 Base-Backbone interact. energy: -0.027 local terms energy: -34.610407 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -6.171 tors. eta vs tors. theta energy: -5.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -110.089873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.089873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.089873 (E_RNA) where: Base-Base interactions energy: -77.218 where: short stacking energy: -33.148 Base-Backbone interact. energy: -0.007 local terms energy: -32.865188 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.318 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -5.792 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: 3 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -68.271485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.271485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.271485 (E_RNA) where: Base-Base interactions energy: -37.591 where: short stacking energy: -34.959 Base-Backbone interact. energy: 0.951 local terms energy: -31.631295 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -6.552 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -84.790066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.790066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.790066 (E_RNA) where: Base-Base interactions energy: -56.392 where: short stacking energy: -27.955 Base-Backbone interact. energy: -0.003 local terms energy: -28.394798 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -4.858 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -96.155370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.155370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.155370 (E_RNA) where: Base-Base interactions energy: -64.205 where: short stacking energy: -34.196 Base-Backbone interact. energy: -0.773 local terms energy: -31.177580 where: bonds (distance) C4'-P energy: -4.656 bonds (distance) P-C4' energy: -5.142 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -5.818 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: 9, replica: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -58.845058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.845058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.845058 (E_RNA) where: Base-Base interactions energy: -29.038 where: short stacking energy: -29.038 Base-Backbone interact. energy: -0.004 local terms energy: -29.803058 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -2.346 tors. eta vs tors. theta energy: -5.905 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: 2 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -69.250108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.250108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.250108 (E_RNA) where: Base-Base interactions energy: -39.255 where: short stacking energy: -39.255 Base-Backbone interact. energy: -0.000 local terms energy: -29.995384 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -3.400 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: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -114.852460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.852460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.852460 (E_RNA) where: Base-Base interactions energy: -83.123 where: short stacking energy: -34.329 Base-Backbone interact. energy: -0.008 local terms energy: -31.721905 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -7.280 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: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -111.102606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.102606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.102606 (E_RNA) where: Base-Base interactions energy: -74.527 where: short stacking energy: -33.372 Base-Backbone interact. energy: -0.099 local terms energy: -36.476661 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -7.308 tors. eta vs tors. theta energy: -6.975 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: 10 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -102.583165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.583165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.583165 (E_RNA) where: Base-Base interactions energy: -74.128 where: short stacking energy: -31.564 Base-Backbone interact. energy: -0.072 local terms energy: -28.383255 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -104.608490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.608490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.608490 (E_RNA) where: Base-Base interactions energy: -69.773 where: short stacking energy: -29.773 Base-Backbone interact. energy: -0.370 local terms energy: -34.465081 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -4.586 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: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -106.420969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.420969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.420969 (E_RNA) where: Base-Base interactions energy: -67.917 where: short stacking energy: -33.700 Base-Backbone interact. energy: -0.983 local terms energy: -37.520372 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -9.079 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: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -66.717035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.717035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.717035 (E_RNA) where: Base-Base interactions energy: -39.880 where: short stacking energy: -23.890 Base-Backbone interact. energy: -0.001 local terms energy: -26.835687 where: bonds (distance) C4'-P energy: -5.430 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -3.652 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: 7, replica: 3 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -59.327533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.327533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.327533 (E_RNA) where: Base-Base interactions energy: -30.317 where: short stacking energy: -30.317 Base-Backbone interact. energy: -0.001 local terms energy: -29.009550 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.754 flat angles P-C4'-P energy: -1.281 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -90.283917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.283917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.283917 (E_RNA) where: Base-Base interactions energy: -64.306 where: short stacking energy: -28.805 Base-Backbone interact. energy: -0.560 local terms energy: -25.417684 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -1.549 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -5.161 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: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -49.831112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.831112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.831112 (E_RNA) where: Base-Base interactions energy: -27.416 where: short stacking energy: -27.416 Base-Backbone interact. energy: -0.130 local terms energy: -22.284926 where: bonds (distance) C4'-P energy: -2.483 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -54.619936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.619936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.619936 (E_RNA) where: Base-Base interactions energy: -22.620 where: short stacking energy: -22.620 Base-Backbone interact. energy: -0.043 local terms energy: -31.957557 where: bonds (distance) C4'-P energy: -5.050 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -6.569 tors. eta vs tors. theta energy: -6.075 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: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -114.961809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.961809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.961809 (E_RNA) where: Base-Base interactions energy: -83.886 where: short stacking energy: -32.652 Base-Backbone interact. energy: -0.011 local terms energy: -31.064982 where: bonds (distance) C4'-P energy: -6.118 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -1.581 tors. eta vs tors. theta energy: -5.947 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: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -111.481675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.481675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.481675 (E_RNA) where: Base-Base interactions energy: -71.111 where: short stacking energy: -36.865 Base-Backbone interact. energy: -1.116 local terms energy: -39.254231 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -7.369 tors. eta vs tors. theta energy: -8.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -106.447197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.447197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.447197 (E_RNA) where: Base-Base interactions energy: -70.451 where: short stacking energy: -35.912 Base-Backbone interact. energy: -0.397 local terms energy: -35.599574 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -6.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -99.964586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.964586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.964586 (E_RNA) where: Base-Base interactions energy: -69.152 where: short stacking energy: -32.746 Base-Backbone interact. energy: -0.005 local terms energy: -30.807757 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -1.077 tors. eta vs tors. theta energy: -9.146 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: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -103.965922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.965922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.965922 (E_RNA) where: Base-Base interactions energy: -78.169 where: short stacking energy: -34.141 Base-Backbone interact. energy: -0.103 local terms energy: -25.693626 where: bonds (distance) C4'-P energy: -4.757 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -74.356110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.356110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.356110 (E_RNA) where: Base-Base interactions energy: -37.190 where: short stacking energy: -37.190 Base-Backbone interact. energy: -0.000 local terms energy: -37.165973 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -4.248 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: 7, replica: 7 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -91.843928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.843928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.843928 (E_RNA) where: Base-Base interactions energy: -62.051 where: short stacking energy: -30.492 Base-Backbone interact. energy: -0.017 local terms energy: -29.775557 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -64.701946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.701946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.701946 (E_RNA) where: Base-Base interactions energy: -30.032 where: short stacking energy: -30.032 Base-Backbone interact. energy: -0.000 local terms energy: -34.669581 where: bonds (distance) C4'-P energy: -3.696 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -8.852 flat angles P-C4'-P energy: -6.849 tors. eta vs tors. theta energy: -8.150 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: 9, replica: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -51.961241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.961241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.961241 (E_RNA) where: Base-Base interactions energy: -22.257 where: short stacking energy: -22.257 Base-Backbone interact. energy: -0.001 local terms energy: -29.703304 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -54.672794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.672794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.672794 (E_RNA) where: Base-Base interactions energy: -23.730 where: short stacking energy: -23.730 Base-Backbone interact. energy: -0.062 local terms energy: -30.881090 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -111.398026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.398026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.398026 (E_RNA) where: Base-Base interactions energy: -73.913 where: short stacking energy: -36.677 Base-Backbone interact. energy: -0.064 local terms energy: -37.420951 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -6.478 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: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -107.074804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.074804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.074804 (E_RNA) where: Base-Base interactions energy: -72.127 where: short stacking energy: -36.770 Base-Backbone interact. energy: -1.301 local terms energy: -33.646257 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -100.689209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.689209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.689209 (E_RNA) where: Base-Base interactions energy: -73.832 where: short stacking energy: -28.519 Base-Backbone interact. energy: -0.000 local terms energy: -26.857224 where: bonds (distance) C4'-P energy: -5.333 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -1.863 tors. eta vs tors. theta energy: -4.887 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: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -103.439593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.439593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.439593 (E_RNA) where: Base-Base interactions energy: -69.998 where: short stacking energy: -29.145 Base-Backbone interact. energy: -0.024 local terms energy: -33.417192 where: bonds (distance) C4'-P energy: -6.508 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -4.163 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: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -92.844188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.844188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.844188 (E_RNA) where: Base-Base interactions energy: -61.272 where: short stacking energy: -31.611 Base-Backbone interact. energy: -0.046 local terms energy: -31.526685 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -89.193692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.193692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.193692 (E_RNA) where: Base-Base interactions energy: -60.144 where: short stacking energy: -27.349 Base-Backbone interact. energy: -0.009 local terms energy: -29.040339 where: bonds (distance) C4'-P energy: -5.158 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -5.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -60.591668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.591668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.591668 (E_RNA) where: Base-Base interactions energy: -29.231 where: short stacking energy: -29.231 Base-Backbone interact. energy: -0.028 local terms energy: -31.333186 where: bonds (distance) C4'-P energy: -3.587 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -4.756 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: 8, replica: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -69.509433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.509433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.509433 (E_RNA) where: Base-Base interactions energy: -41.023 where: short stacking energy: -27.199 Base-Backbone interact. energy: -0.000 local terms energy: -28.486227 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -1.885 tors. eta vs tors. theta energy: -4.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -59.093576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.093576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.093576 (E_RNA) where: Base-Base interactions energy: -40.070 where: short stacking energy: -15.145 Base-Backbone interact. energy: -0.590 local terms energy: -18.433445 where: bonds (distance) C4'-P energy: -6.432 bonds (distance) P-C4' energy: -5.929 flat angles C4'-P-C4' energy: -1.953 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: 0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -62.190283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.190283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.190283 (E_RNA) where: Base-Base interactions energy: -24.679 where: short stacking energy: -24.679 Base-Backbone interact. energy: -0.001 local terms energy: -37.509925 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: -7.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -112.319996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.319996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.319996 (E_RNA) where: Base-Base interactions energy: -70.915 where: short stacking energy: -35.366 Base-Backbone interact. energy: -1.410 local terms energy: -39.994534 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -8.155 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -8.606 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: 2, replica: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -110.009904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.009904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.009904 (E_RNA) where: Base-Base interactions energy: -72.142 where: short stacking energy: -37.807 Base-Backbone interact. energy: -1.397 local terms energy: -36.470542 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -6.291 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: 6 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -103.291026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.291026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.291026 (E_RNA) where: Base-Base interactions energy: -66.781 where: short stacking energy: -30.729 Base-Backbone interact. energy: -1.426 local terms energy: -35.084248 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: -6.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -103.191710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.191710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.191710 (E_RNA) where: Base-Base interactions energy: -70.568 where: short stacking energy: -35.702 Base-Backbone interact. energy: -0.204 local terms energy: -32.420049 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -7.765 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -97.584415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.584415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.584415 (E_RNA) where: Base-Base interactions energy: -65.738 where: short stacking energy: -30.259 Base-Backbone interact. energy: 0.524 local terms energy: -32.371014 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -8.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -99.145976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.145976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.145976 (E_RNA) where: Base-Base interactions energy: -63.105 where: short stacking energy: -33.547 Base-Backbone interact. energy: -0.910 local terms energy: -35.130760 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -6.494 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: 7, replica: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -68.194054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.194054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.194054 (E_RNA) where: Base-Base interactions energy: -36.999 where: short stacking energy: -36.999 Base-Backbone interact. energy: -0.002 local terms energy: -31.193240 where: bonds (distance) C4'-P energy: -6.048 bonds (distance) P-C4' energy: -6.055 flat angles C4'-P-C4' energy: -6.950 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -7.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -67.366562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.366562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.366562 (E_RNA) where: Base-Base interactions energy: -34.289 where: short stacking energy: -34.289 Base-Backbone interact. energy: -0.000 local terms energy: -33.077566 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -6.830 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -4.683 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: 166 Temperature: 1.300000 Total energy: -51.661039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.661039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.661039 (E_RNA) where: Base-Base interactions energy: -20.353 where: short stacking energy: -14.863 Base-Backbone interact. energy: -0.108 local terms energy: -31.200548 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -40.374450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.374450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.374450 (E_RNA) where: Base-Base interactions energy: -16.507 where: short stacking energy: -16.507 Base-Backbone interact. energy: -0.112 local terms energy: -23.755147 where: bonds (distance) C4'-P energy: -5.734 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -2.786 tors. eta vs tors. theta energy: -2.895 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: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -110.844164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.844164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.844164 (E_RNA) where: Base-Base interactions energy: -70.584 where: short stacking energy: -35.067 Base-Backbone interact. energy: -1.184 local terms energy: -39.075455 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -7.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -106.813573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.813573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.813573 (E_RNA) where: Base-Base interactions energy: -67.837 where: short stacking energy: -30.873 Base-Backbone interact. energy: -1.409 local terms energy: -37.567462 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -5.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -82.667490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.667490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.667490 (E_RNA) where: Base-Base interactions energy: -48.342 where: short stacking energy: -31.552 Base-Backbone interact. energy: -0.359 local terms energy: -33.966008 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -7.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -97.501911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.501911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.501911 (E_RNA) where: Base-Base interactions energy: -64.580 where: short stacking energy: -31.680 Base-Backbone interact. energy: -0.002 local terms energy: -32.919616 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -4.033 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: 7 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -90.061625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.061625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.061625 (E_RNA) where: Base-Base interactions energy: -56.344 where: short stacking energy: -27.570 Base-Backbone interact. energy: -0.047 local terms energy: -33.670772 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -4.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -62.830780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.830780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.830780 (E_RNA) where: Base-Base interactions energy: -30.124 where: short stacking energy: -30.124 Base-Backbone interact. energy: 0.445 local terms energy: -33.151482 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -7.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -86.254391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.254391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.254391 (E_RNA) where: Base-Base interactions energy: -56.078 where: short stacking energy: -24.264 Base-Backbone interact. energy: -1.433 local terms energy: -28.743677 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -6.366 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -56.960493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.960493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.960493 (E_RNA) where: Base-Base interactions energy: -29.895 where: short stacking energy: -23.625 Base-Backbone interact. energy: -0.043 local terms energy: -27.022439 where: bonds (distance) C4'-P energy: -6.756 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -55.109961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.109961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.109961 (E_RNA) where: Base-Base interactions energy: -21.584 where: short stacking energy: -21.584 Base-Backbone interact. energy: -0.074 local terms energy: -33.451486 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -8.943 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -5.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -51.806572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.806572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.806572 (E_RNA) where: Base-Base interactions energy: -26.277 where: short stacking energy: -21.192 Base-Backbone interact. energy: -0.074 local terms energy: -25.454856 where: bonds (distance) C4'-P energy: -4.710 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -104.725242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.725242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.725242 (E_RNA) where: Base-Base interactions energy: -67.069 where: short stacking energy: -31.359 Base-Backbone interact. energy: -0.813 local terms energy: -36.843789 where: bonds (distance) C4'-P energy: -6.211 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -9.040 flat angles P-C4'-P energy: -6.591 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: 2, replica: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -105.899862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.899862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.899862 (E_RNA) where: Base-Base interactions energy: -72.688 where: short stacking energy: -34.458 Base-Backbone interact. energy: -0.004 local terms energy: -33.207933 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -7.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -106.634551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.634551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.634551 (E_RNA) where: Base-Base interactions energy: -70.376 where: short stacking energy: -33.955 Base-Backbone interact. energy: -0.083 local terms energy: -36.175318 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -7.206 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -101.853179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.853179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.853179 (E_RNA) where: Base-Base interactions energy: -67.425 where: short stacking energy: -33.378 Base-Backbone interact. energy: -1.416 local terms energy: -33.012859 where: bonds (distance) C4'-P energy: -5.388 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -6.426 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: 5, replica: 7 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -97.914456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.914456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.914456 (E_RNA) where: Base-Base interactions energy: -66.870 where: short stacking energy: -30.210 Base-Backbone interact. energy: -0.012 local terms energy: -31.032706 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -7.229 flat angles C4'-P-C4' energy: -6.404 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -57.228478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.228478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.228478 (E_RNA) where: Base-Base interactions energy: -24.833 where: short stacking energy: -24.833 Base-Backbone interact. energy: -0.173 local terms energy: -32.222218 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -2.389 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: 7, replica: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -70.858230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.858230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.858230 (E_RNA) where: Base-Base interactions energy: -37.630 where: short stacking energy: -37.630 Base-Backbone interact. energy: -0.032 local terms energy: -33.196499 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -9.150 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: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -56.083862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.083862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.083862 (E_RNA) where: Base-Base interactions energy: -26.414 where: short stacking energy: -26.414 Base-Backbone interact. energy: -0.124 local terms energy: -29.545164 where: bonds (distance) C4'-P energy: -6.525 bonds (distance) P-C4' energy: -6.376 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: -4.618 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: 3 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -53.908198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.908198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.908198 (E_RNA) where: Base-Base interactions energy: -23.235 where: short stacking energy: -19.410 Base-Backbone interact. energy: -0.001 local terms energy: -30.672866 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -5.855 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: 168 Temperature: 1.350000 Total energy: -52.040293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.040293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.040293 (E_RNA) where: Base-Base interactions energy: -20.748 where: short stacking energy: -20.748 Base-Backbone interact. energy: -0.059 local terms energy: -31.233521 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -4.057 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: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -105.266342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.266342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.266342 (E_RNA) where: Base-Base interactions energy: -69.981 where: short stacking energy: -34.302 Base-Backbone interact. energy: -1.608 local terms energy: -33.677287 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -6.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -105.284824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.284824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.284824 (E_RNA) where: Base-Base interactions energy: -69.967 where: short stacking energy: -32.693 Base-Backbone interact. energy: -0.054 local terms energy: -35.263944 where: bonds (distance) C4'-P energy: -7.078 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -7.188 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: 3, replica: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -105.860292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.860292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.860292 (E_RNA) where: Base-Base interactions energy: -72.109 where: short stacking energy: -35.827 Base-Backbone interact. energy: -1.464 local terms energy: -32.287186 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -6.797 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -6.295 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: 7 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -100.108813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.108813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.108813 (E_RNA) where: Base-Base interactions energy: -69.636 where: short stacking energy: -29.814 Base-Backbone interact. energy: 0.153 local terms energy: -30.625912 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -101.661716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.661716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.661716 (E_RNA) where: Base-Base interactions energy: -64.852 where: short stacking energy: -30.572 Base-Backbone interact. energy: -1.155 local terms energy: -35.654831 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.966 flat angles P-C4'-P energy: -3.514 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: 6, replica: 8 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -56.625969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.625969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.625969 (E_RNA) where: Base-Base interactions energy: -22.097 where: short stacking energy: -22.097 Base-Backbone interact. energy: -0.014 local terms energy: -34.514896 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -6.580 tors. eta vs tors. theta energy: -6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -71.598190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.598190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.598190 (E_RNA) where: Base-Base interactions energy: -37.984 where: short stacking energy: -37.984 Base-Backbone interact. energy: -0.001 local terms energy: -33.614017 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -8.256 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -8.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -98.898841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.898841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.898841 (E_RNA) where: Base-Base interactions energy: -66.662 where: short stacking energy: -30.707 Base-Backbone interact. energy: -0.014 local terms energy: -32.223031 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -1.081 tors. eta vs tors. theta energy: -6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -60.696743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.696743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.696743 (E_RNA) where: Base-Base interactions energy: -26.559 where: short stacking energy: -26.559 Base-Backbone interact. energy: -0.099 local terms energy: -34.038619 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -6.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -51.634419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.634419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.634419 (E_RNA) where: Base-Base interactions energy: -29.265 where: short stacking energy: -29.265 Base-Backbone interact. energy: -0.000 local terms energy: -22.369356 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -2.382 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -106.712959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.712959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.712959 (E_RNA) where: Base-Base interactions energy: -72.789 where: short stacking energy: -36.245 Base-Backbone interact. energy: -0.032 local terms energy: -33.891422 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -5.418 tors. eta vs tors. theta energy: -6.162 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: 170 Temperature: 0.950000 Total energy: -105.867571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.867571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.867571 (E_RNA) where: Base-Base interactions energy: -68.779 where: short stacking energy: -32.737 Base-Backbone interact. energy: -0.009 local terms energy: -37.079651 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -5.422 tors. eta vs tors. theta energy: -8.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -106.658758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.658758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.658758 (E_RNA) where: Base-Base interactions energy: -73.876 where: short stacking energy: -36.432 Base-Backbone interact. energy: -0.001 local terms energy: -32.781799 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -1.146 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: 4, replica: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -106.937287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.937287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.937287 (E_RNA) where: Base-Base interactions energy: -73.575 where: short stacking energy: -37.930 Base-Backbone interact. energy: -0.000 local terms energy: -33.362437 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -5.611 tors. eta vs tors. theta energy: -5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -103.316483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.316483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.316483 (E_RNA) where: Base-Base interactions energy: -66.842 where: short stacking energy: -33.565 Base-Backbone interact. energy: -1.302 local terms energy: -35.171818 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -7.775 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -9.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -61.999833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.999833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.999833 (E_RNA) where: Base-Base interactions energy: -28.940 where: short stacking energy: -28.940 Base-Backbone interact. energy: -0.007 local terms energy: -33.052217 where: bonds (distance) C4'-P energy: -3.685 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -6.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -100.150522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.150522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.150522 (E_RNA) where: Base-Base interactions energy: -64.170 where: short stacking energy: -36.027 Base-Backbone interact. energy: -0.014 local terms energy: -35.966047 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -6.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -54.897598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.897598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.897598 (E_RNA) where: Base-Base interactions energy: -26.633 where: short stacking energy: -26.633 Base-Backbone interact. energy: -0.001 local terms energy: -28.263596 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: -3.749 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: 9, replica: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -54.500106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.500106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.500106 (E_RNA) where: Base-Base interactions energy: -26.088 where: short stacking energy: -22.732 Base-Backbone interact. energy: -0.003 local terms energy: -28.408877 where: bonds (distance) C4'-P energy: -4.131 bonds (distance) P-C4' energy: -6.772 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -4.686 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: 10, replica: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -48.365732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.365732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.365732 (E_RNA) where: Base-Base interactions energy: -24.808 where: short stacking energy: -22.993 Base-Backbone interact. energy: -0.089 local terms energy: -23.468645 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -3.257 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -1.571 tors. eta vs tors. theta energy: -3.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -118.638323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.638323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.638323 (E_RNA) where: Base-Base interactions energy: -93.920 where: short stacking energy: -36.737 Base-Backbone interact. energy: -0.326 local terms energy: -24.392482 where: bonds (distance) C4'-P energy: -5.633 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: 0.007 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -109.533641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.533641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.533641 (E_RNA) where: Base-Base interactions energy: -72.437 where: short stacking energy: -35.641 Base-Backbone interact. energy: -0.936 local terms energy: -36.161468 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -6.664 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: 3, replica: 1 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -104.674656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.674656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.674656 (E_RNA) where: Base-Base interactions energy: -69.941 where: short stacking energy: -32.575 Base-Backbone interact. energy: -0.006 local terms energy: -34.727563 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -7.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -107.646589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.646589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.646589 (E_RNA) where: Base-Base interactions energy: -72.145 where: short stacking energy: -30.932 Base-Backbone interact. energy: -0.347 local terms energy: -35.153821 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -5.786 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: 6 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -104.512151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.512151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.512151 (E_RNA) where: Base-Base interactions energy: -71.203 where: short stacking energy: -35.789 Base-Backbone interact. energy: -0.486 local terms energy: -32.823328 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -6.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -103.445907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.445907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.445907 (E_RNA) where: Base-Base interactions energy: -65.999 where: short stacking energy: -33.250 Base-Backbone interact. energy: -1.261 local terms energy: -36.186371 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -6.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -60.209295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.209295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.209295 (E_RNA) where: Base-Base interactions energy: -31.456 where: short stacking energy: -31.456 Base-Backbone interact. energy: -0.000 local terms energy: -28.753533 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.242 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -3.834 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: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -67.433648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.433648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.433648 (E_RNA) where: Base-Base interactions energy: -28.867 where: short stacking energy: -28.867 Base-Backbone interact. energy: -0.000 local terms energy: -38.566916 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -4.885 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: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -52.259502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.259502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.259502 (E_RNA) where: Base-Base interactions energy: -25.187 where: short stacking energy: -25.187 Base-Backbone interact. energy: -0.001 local terms energy: -27.071545 where: bonds (distance) C4'-P energy: -4.562 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -4.567 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: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -46.406457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.406457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.406457 (E_RNA) where: Base-Base interactions energy: -16.303 where: short stacking energy: -16.303 Base-Backbone interact. energy: -0.048 local terms energy: -30.055865 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -2.452 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: 1, replica: 9 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -107.300291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.300291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.300291 (E_RNA) where: Base-Base interactions energy: -70.810 where: short stacking energy: -34.237 Base-Backbone interact. energy: -0.661 local terms energy: -35.829592 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -7.181 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: 2, replica: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -116.331310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.331310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.331310 (E_RNA) where: Base-Base interactions energy: -89.946 where: short stacking energy: -39.065 Base-Backbone interact. energy: -0.019 local terms energy: -26.365739 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -0.568 tors. eta vs tors. theta energy: -7.076 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: 3, replica: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -109.978737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.978737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.978737 (E_RNA) where: Base-Base interactions energy: -78.022 where: short stacking energy: -34.202 Base-Backbone interact. energy: 0.675 local terms energy: -32.631823 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -105.197577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.197577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.197577 (E_RNA) where: Base-Base interactions energy: -73.244 where: short stacking energy: -33.417 Base-Backbone interact. energy: -0.011 local terms energy: -31.942898 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -2.766 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: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -100.235839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.235839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.235839 (E_RNA) where: Base-Base interactions energy: -64.581 where: short stacking energy: -30.651 Base-Backbone interact. energy: -0.001 local terms energy: -35.654633 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -8.478 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -8.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -93.154786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.154786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.154786 (E_RNA) where: Base-Base interactions energy: -65.805 where: short stacking energy: -33.867 Base-Backbone interact. energy: -0.034 local terms energy: -27.315984 where: bonds (distance) C4'-P energy: -4.695 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -2.423 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: 7, replica: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -60.345931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.345931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.345931 (E_RNA) where: Base-Base interactions energy: -30.836 where: short stacking energy: -30.836 Base-Backbone interact. energy: -0.001 local terms energy: -29.509518 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -1.705 tors. eta vs tors. theta energy: -7.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -59.821163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.821163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.821163 (E_RNA) where: Base-Base interactions energy: -26.272 where: short stacking energy: -26.272 Base-Backbone interact. energy: -0.003 local terms energy: -33.546668 where: bonds (distance) C4'-P energy: -5.568 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -5.693 tors. eta vs tors. theta energy: -7.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -58.018165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.018165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.018165 (E_RNA) where: Base-Base interactions energy: -33.172 where: short stacking energy: -22.913 Base-Backbone interact. energy: -0.001 local terms energy: -24.845098 where: bonds (distance) C4'-P energy: -5.749 bonds (distance) P-C4' energy: -5.386 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -0.925 tors. eta vs tors. theta energy: -5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -56.025646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.025646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.025646 (E_RNA) where: Base-Base interactions energy: -27.033 where: short stacking energy: -22.647 Base-Backbone interact. energy: -0.020 local terms energy: -28.972653 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -105.066295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.066295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.066295 (E_RNA) where: Base-Base interactions energy: -71.615 where: short stacking energy: -35.735 Base-Backbone interact. energy: 0.088 local terms energy: -33.540058 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -6.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -117.976181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.976181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.976181 (E_RNA) where: Base-Base interactions energy: -85.335 where: short stacking energy: -37.135 Base-Backbone interact. energy: -0.016 local terms energy: -32.625058 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -0.607 tors. eta vs tors. theta energy: -7.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -104.407065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.407065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.407065 (E_RNA) where: Base-Base interactions energy: -71.962 where: short stacking energy: -31.240 Base-Backbone interact. energy: -0.151 local terms energy: -32.293862 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -6.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -106.035164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.035164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.035164 (E_RNA) where: Base-Base interactions energy: -68.977 where: short stacking energy: -32.746 Base-Backbone interact. energy: -0.016 local terms energy: -37.042503 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.803 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -6.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -102.524302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.524302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.524302 (E_RNA) where: Base-Base interactions energy: -71.434 where: short stacking energy: -36.306 Base-Backbone interact. energy: -0.027 local terms energy: -31.063560 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -4.298 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: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -77.938201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.938201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.938201 (E_RNA) where: Base-Base interactions energy: -42.788 where: short stacking energy: -27.486 Base-Backbone interact. energy: -0.080 local terms energy: -35.069927 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -9.305 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -5.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -86.507512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.507512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.507512 (E_RNA) where: Base-Base interactions energy: -63.945 where: short stacking energy: -30.338 Base-Backbone interact. energy: -0.020 local terms energy: -22.542167 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -0.044 tors. eta vs tors. theta energy: -5.715 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: 173 Temperature: 1.250000 Total energy: -57.998371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.998371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.998371 (E_RNA) where: Base-Base interactions energy: -43.549 where: short stacking energy: -19.894 Base-Backbone interact. energy: -0.015 local terms energy: -14.433821 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -5.088 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: 2.025 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: 9, replica: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -56.523216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.523216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.523216 (E_RNA) where: Base-Base interactions energy: -27.576 where: short stacking energy: -27.576 Base-Backbone interact. energy: -0.000 local terms energy: -28.946825 where: bonds (distance) C4'-P energy: -3.594 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -2.584 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: 10, replica: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -53.633099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.633099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.633099 (E_RNA) where: Base-Base interactions energy: -28.241 where: short stacking energy: -17.940 Base-Backbone interact. energy: -0.011 local terms energy: -25.381158 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: 1.224 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: 10 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -117.067416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.067416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.067416 (E_RNA) where: Base-Base interactions energy: -82.069 where: short stacking energy: -32.124 Base-Backbone interact. energy: -0.311 local terms energy: -34.687994 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -6.861 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: 9 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -106.720298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.720298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.720298 (E_RNA) where: Base-Base interactions energy: -69.057 where: short stacking energy: -36.663 Base-Backbone interact. energy: -0.470 local terms energy: -37.194080 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -6.928 tors. eta vs tors. theta energy: -7.986 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: 1 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -107.574819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.574819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.574819 (E_RNA) where: Base-Base interactions energy: -71.956 where: short stacking energy: -36.349 Base-Backbone interact. energy: -0.517 local terms energy: -35.101460 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.382 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -8.410 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: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -103.414940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.414940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.414940 (E_RNA) where: Base-Base interactions energy: -73.217 where: short stacking energy: -32.428 Base-Backbone interact. energy: -0.022 local terms energy: -30.175405 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -5.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -67.127273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.127273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.127273 (E_RNA) where: Base-Base interactions energy: -33.208 where: short stacking energy: -33.208 Base-Backbone interact. energy: -0.001 local terms energy: -33.918237 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -7.375 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: 6, replica: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -99.175543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.175543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.175543 (E_RNA) where: Base-Base interactions energy: -66.931 where: short stacking energy: -31.058 Base-Backbone interact. energy: -0.416 local terms energy: -31.828789 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -6.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -63.878778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.878778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.878778 (E_RNA) where: Base-Base interactions energy: -31.570 where: short stacking energy: -25.757 Base-Backbone interact. energy: -0.003 local terms energy: -32.305898 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -6.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -56.319992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.319992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.319992 (E_RNA) where: Base-Base interactions energy: -18.894 where: short stacking energy: -18.894 Base-Backbone interact. energy: -0.005 local terms energy: -37.421688 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -6.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -53.596030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.596030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.596030 (E_RNA) where: Base-Base interactions energy: -30.699 where: short stacking energy: -25.229 Base-Backbone interact. energy: -0.072 local terms energy: -22.825090 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -5.708 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -1.999 tors. eta vs tors. theta energy: -0.548 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: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -52.063951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.063951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.063951 (E_RNA) where: Base-Base interactions energy: -24.839 where: short stacking energy: -24.839 Base-Backbone interact. energy: -0.037 local terms energy: -27.187077 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -5.489 flat angles C4'-P-C4' energy: -3.601 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -5.737 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: 10 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -119.674366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.674366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.674366 (E_RNA) where: Base-Base interactions energy: -91.074 where: short stacking energy: -34.897 Base-Backbone interact. energy: -0.012 local terms energy: -28.588268 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -1.180 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: 2, replica: 1 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -116.150107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.150107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.150107 (E_RNA) where: Base-Base interactions energy: -81.339 where: short stacking energy: -33.261 Base-Backbone interact. energy: -0.245 local terms energy: -34.565743 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -6.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -110.429274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.429274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.429274 (E_RNA) where: Base-Base interactions energy: -71.075 where: short stacking energy: -36.870 Base-Backbone interact. energy: -1.684 local terms energy: -37.671028 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -6.820 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: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -104.488488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.488488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.488488 (E_RNA) where: Base-Base interactions energy: -70.675 where: short stacking energy: -33.357 Base-Backbone interact. energy: -0.005 local terms energy: -33.808472 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -4.169 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: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -64.760231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.760231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.760231 (E_RNA) where: Base-Base interactions energy: -34.240 where: short stacking energy: -15.116 Base-Backbone interact. energy: -0.123 local terms energy: -30.396969 where: bonds (distance) C4'-P energy: -7.539 bonds (distance) P-C4' energy: -6.312 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -1.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -94.710718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.710718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.710718 (E_RNA) where: Base-Base interactions energy: -63.421 where: short stacking energy: -28.235 Base-Backbone interact. energy: -0.963 local terms energy: -30.327235 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.754 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -3.909 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: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -64.335741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.335741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.335741 (E_RNA) where: Base-Base interactions energy: -28.955 where: short stacking energy: -19.948 Base-Backbone interact. energy: -0.005 local terms energy: -35.375855 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -59.627456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.627456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.627456 (E_RNA) where: Base-Base interactions energy: -26.939 where: short stacking energy: -26.939 Base-Backbone interact. energy: -0.016 local terms energy: -32.672265 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -5.220 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: 6 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -56.048857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.048857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.048857 (E_RNA) where: Base-Base interactions energy: -24.266 where: short stacking energy: -24.266 Base-Backbone interact. energy: -0.036 local terms energy: -31.746796 where: bonds (distance) C4'-P energy: -5.613 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -2.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -67.587472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.587472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.587472 (E_RNA) where: Base-Base interactions energy: -36.943 where: short stacking energy: -36.943 Base-Backbone interact. energy: -0.000 local terms energy: -30.644077 where: bonds (distance) C4'-P energy: -2.894 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -3.080 tors. eta vs tors. theta energy: -8.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -117.422073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.422073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.422073 (E_RNA) where: Base-Base interactions energy: -83.693 where: short stacking energy: -36.233 Base-Backbone interact. energy: -0.618 local terms energy: -33.110646 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -1.130 tors. eta vs tors. theta energy: -8.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -116.925746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.925746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.925746 (E_RNA) where: Base-Base interactions energy: -88.481 where: short stacking energy: -34.699 Base-Backbone interact. energy: -0.003 local terms energy: -28.441021 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -0.701 tors. eta vs tors. theta energy: -5.861 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: 3, replica: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -109.990832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.990832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.990832 (E_RNA) where: Base-Base interactions energy: -73.153 where: short stacking energy: -35.584 Base-Backbone interact. energy: -0.012 local terms energy: -36.826244 where: bonds (distance) C4'-P energy: -7.716 bonds (distance) P-C4' energy: -8.787 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -6.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -106.467376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.467376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.467376 (E_RNA) where: Base-Base interactions energy: -69.350 where: short stacking energy: -32.625 Base-Backbone interact. energy: -0.736 local terms energy: -36.381366 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -3.852 tors. eta vs tors. theta energy: -8.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -102.779047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.779047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.779047 (E_RNA) where: Base-Base interactions energy: -70.404 where: short stacking energy: -32.814 Base-Backbone interact. energy: -0.967 local terms energy: -31.408010 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -7.920 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -6.806 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: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -81.841516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.841516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.841516 (E_RNA) where: Base-Base interactions energy: -52.870 where: short stacking energy: -20.625 Base-Backbone interact. energy: -0.032 local terms energy: -28.939508 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -1.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -55.278349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.278349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.278349 (E_RNA) where: Base-Base interactions energy: -22.917 where: short stacking energy: -22.917 Base-Backbone interact. energy: -0.140 local terms energy: -32.221941 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -67.678782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.678782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.678782 (E_RNA) where: Base-Base interactions energy: -33.961 where: short stacking energy: -25.062 Base-Backbone interact. energy: 0.198 local terms energy: -33.916442 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -7.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -55.352224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.352224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.352224 (E_RNA) where: Base-Base interactions energy: -24.985 where: short stacking energy: -24.985 Base-Backbone interact. energy: -0.056 local terms energy: -30.311259 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -45.939930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.939930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.939930 (E_RNA) where: Base-Base interactions energy: -17.885 where: short stacking energy: -17.885 Base-Backbone interact. energy: -0.072 local terms energy: -27.982410 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -106.597314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.597314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.597314 (E_RNA) where: Base-Base interactions energy: -77.529 where: short stacking energy: -27.601 Base-Backbone interact. energy: -0.006 local terms energy: -29.062783 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -0.232 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -106.765706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.765706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.765706 (E_RNA) where: Base-Base interactions energy: -66.628 where: short stacking energy: -33.262 Base-Backbone interact. energy: -0.006 local terms energy: -40.131210 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -9.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -108.131341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.131341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.131341 (E_RNA) where: Base-Base interactions energy: -82.187 where: short stacking energy: -28.557 Base-Backbone interact. energy: -0.068 local terms energy: -25.876538 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -2.161 tors. eta vs tors. theta energy: -4.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -105.861499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.861499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.861499 (E_RNA) where: Base-Base interactions energy: -78.953 where: short stacking energy: -32.926 Base-Backbone interact. energy: -0.372 local terms energy: -26.536454 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -0.232 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: 5, replica: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -99.942920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.942920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.942920 (E_RNA) where: Base-Base interactions energy: -65.767 where: short stacking energy: -33.932 Base-Backbone interact. energy: -0.339 local terms energy: -33.836965 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -5.397 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -7.374 tors. eta vs tors. theta energy: -7.375 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: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -68.532224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.532224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.532224 (E_RNA) where: Base-Base interactions energy: -33.471 where: short stacking energy: -33.471 Base-Backbone interact. energy: -0.000 local terms energy: -35.061223 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -7.637 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -5.897 tors. eta vs tors. theta energy: -7.350 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: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -75.722642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.722642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.722642 (E_RNA) where: Base-Base interactions energy: -38.689 where: short stacking energy: -38.689 Base-Backbone interact. energy: -0.000 local terms energy: -37.034008 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -5.030 flat angles C4'-P-C4' energy: -8.677 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -11.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -57.534070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.534070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.534070 (E_RNA) where: Base-Base interactions energy: -26.488 where: short stacking energy: -26.488 Base-Backbone interact. energy: -0.053 local terms energy: -30.993301 where: bonds (distance) C4'-P energy: -5.236 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -3.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -62.786908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.786908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.786908 (E_RNA) where: Base-Base interactions energy: -31.350 where: short stacking energy: -31.350 Base-Backbone interact. energy: -0.001 local terms energy: -31.436081 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -7.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -51.596130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.596130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.596130 (E_RNA) where: Base-Base interactions energy: -23.143 where: short stacking energy: -23.143 Base-Backbone interact. energy: -0.182 local terms energy: -28.271292 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -7.634 flat angles C4'-P-C4' energy: -8.011 flat angles P-C4'-P energy: -2.194 tors. eta vs tors. theta energy: -5.953 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: 7 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -109.453865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.453865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.453865 (E_RNA) where: Base-Base interactions energy: -71.445 where: short stacking energy: -38.166 Base-Backbone interact. energy: -0.027 local terms energy: -37.981910 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -8.279 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: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -110.279617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.279617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.279617 (E_RNA) where: Base-Base interactions energy: -71.638 where: short stacking energy: -34.275 Base-Backbone interact. energy: -0.510 local terms energy: -38.131563 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.456 flat angles P-C4'-P energy: -6.406 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: 3, replica: 9 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -108.794229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.794229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.794229 (E_RNA) where: Base-Base interactions energy: -71.062 where: short stacking energy: -35.768 Base-Backbone interact. energy: -0.019 local terms energy: -37.712976 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -2.741 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: 4, replica: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -101.547043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.547043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.547043 (E_RNA) where: Base-Base interactions energy: -65.840 where: short stacking energy: -30.599 Base-Backbone interact. energy: -0.001 local terms energy: -35.706338 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -6.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -105.830559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.830559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.830559 (E_RNA) where: Base-Base interactions energy: -72.051 where: short stacking energy: -36.100 Base-Backbone interact. energy: -0.183 local terms energy: -33.596429 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -6.515 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: 6, replica: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -77.048202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.048202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.048202 (E_RNA) where: Base-Base interactions energy: -44.936 where: short stacking energy: -34.326 Base-Backbone interact. energy: -0.002 local terms energy: -32.110188 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -1.387 tors. eta vs tors. theta energy: -7.599 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: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -62.471563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.471563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.471563 (E_RNA) where: Base-Base interactions energy: -31.653 where: short stacking energy: -31.653 Base-Backbone interact. energy: -0.400 local terms energy: -30.418132 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -3.886 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: 8, replica: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -50.134856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.134856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.134856 (E_RNA) where: Base-Base interactions energy: -24.385 where: short stacking energy: -24.385 Base-Backbone interact. energy: -0.223 local terms energy: -25.527053 where: bonds (distance) C4'-P energy: -4.666 bonds (distance) P-C4' energy: -5.045 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -4.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -51.158851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.158851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.158851 (E_RNA) where: Base-Base interactions energy: -29.793 where: short stacking energy: -10.364 Base-Backbone interact. energy: -0.036 local terms energy: -21.329252 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -4.552 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: 0.321 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: 178 Temperature: 1.350000 Total energy: -56.798502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.798502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.798502 (E_RNA) where: Base-Base interactions energy: -25.207 where: short stacking energy: -25.207 Base-Backbone interact. energy: -0.412 local terms energy: -31.178899 where: bonds (distance) C4'-P energy: -5.274 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -5.754 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: 179 Temperature: 0.900000 Total energy: -109.703454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.703454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.703454 (E_RNA) where: Base-Base interactions energy: -68.418 where: short stacking energy: -34.657 Base-Backbone interact. energy: -0.908 local terms energy: -40.377715 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -9.022 flat angles P-C4'-P energy: -6.493 tors. eta vs tors. theta energy: -8.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -103.658934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.658934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.658934 (E_RNA) where: Base-Base interactions energy: -67.280 where: short stacking energy: -32.522 Base-Backbone interact. energy: -0.594 local terms energy: -35.784297 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -2.798 tors. eta vs tors. theta energy: -8.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -109.726744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.726744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.726744 (E_RNA) where: Base-Base interactions energy: -71.594 where: short stacking energy: -35.711 Base-Backbone interact. energy: -0.960 local terms energy: -37.171839 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -7.334 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: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -95.649803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.649803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.649803 (E_RNA) where: Base-Base interactions energy: -62.799 where: short stacking energy: -30.711 Base-Backbone interact. energy: -0.006 local terms energy: -32.844416 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -4.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -98.700253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.700253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.700253 (E_RNA) where: Base-Base interactions energy: -62.876 where: short stacking energy: -28.395 Base-Backbone interact. energy: -0.001 local terms energy: -35.823547 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -7.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -91.793300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.793300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.793300 (E_RNA) where: Base-Base interactions energy: -59.708 where: short stacking energy: -29.568 Base-Backbone interact. energy: -0.914 local terms energy: -31.171148 where: bonds (distance) C4'-P energy: -5.534 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -5.526 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: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -55.268780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.268780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.268780 (E_RNA) where: Base-Base interactions energy: -24.795 where: short stacking energy: -24.795 Base-Backbone interact. energy: -0.002 local terms energy: -30.472039 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -5.113 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: 8, replica: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -57.206065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.206065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.206065 (E_RNA) where: Base-Base interactions energy: -27.253 where: short stacking energy: -16.052 Base-Backbone interact. energy: -0.019 local terms energy: -29.934757 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.585 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -3.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -52.195727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.195727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.195727 (E_RNA) where: Base-Base interactions energy: -22.760 where: short stacking energy: -15.910 Base-Backbone interact. energy: -0.091 local terms energy: -29.345462 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.415 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -5.121 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: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -48.859875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.859875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.859875 (E_RNA) where: Base-Base interactions energy: -17.475 where: short stacking energy: -17.475 Base-Backbone interact. energy: -0.013 local terms energy: -31.371674 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -8.810 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -2.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -102.707262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.707262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.707262 (E_RNA) where: Base-Base interactions energy: -68.636 where: short stacking energy: -32.758 Base-Backbone interact. energy: -0.005 local terms energy: -34.065919 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -3.817 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: 2, replica: 7 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -109.098000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.098000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.098000 (E_RNA) where: Base-Base interactions energy: -70.186 where: short stacking energy: -35.202 Base-Backbone interact. energy: -1.766 local terms energy: -37.146363 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -6.465 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: 3, replica: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -112.603818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.603818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.603818 (E_RNA) where: Base-Base interactions energy: -75.139 where: short stacking energy: -37.806 Base-Backbone interact. energy: -1.333 local terms energy: -36.131843 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -7.698 tors. eta vs tors. theta energy: -5.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -97.994329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.994329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.994329 (E_RNA) where: Base-Base interactions energy: -64.668 where: short stacking energy: -29.554 Base-Backbone interact. energy: -0.001 local terms energy: -33.325496 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -6.517 flat angles C4'-P-C4' energy: -8.402 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -103.817681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.817681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.817681 (E_RNA) where: Base-Base interactions energy: -66.461 where: short stacking energy: -34.661 Base-Backbone interact. energy: -0.150 local terms energy: -37.206532 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -6.446 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: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -85.610512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.610512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.610512 (E_RNA) where: Base-Base interactions energy: -54.533 where: short stacking energy: -26.181 Base-Backbone interact. energy: -1.825 local terms energy: -29.252281 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.179 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -6.070 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: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -70.731380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.731380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.731380 (E_RNA) where: Base-Base interactions energy: -37.459 where: short stacking energy: -37.459 Base-Backbone interact. energy: -0.000 local terms energy: -33.272472 where: bonds (distance) C4'-P energy: -5.588 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -8.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -60.400622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.400622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.400622 (E_RNA) where: Base-Base interactions energy: -28.163 where: short stacking energy: -28.163 Base-Backbone interact. energy: -0.037 local terms energy: -32.200279 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -8.205 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: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -55.951623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.951623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.951623 (E_RNA) where: Base-Base interactions energy: -33.345 where: short stacking energy: -15.190 Base-Backbone interact. energy: -0.030 local terms energy: -22.576398 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -5.677 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -0.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -49.733147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.733147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.733147 (E_RNA) where: Base-Base interactions energy: -24.607 where: short stacking energy: -22.331 Base-Backbone interact. energy: -0.022 local terms energy: -25.104051 where: bonds (distance) C4'-P energy: -3.266 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -110.976947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.976947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.976947 (E_RNA) where: Base-Base interactions energy: -77.179 where: short stacking energy: -32.064 Base-Backbone interact. energy: -0.003 local terms energy: -33.794822 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -6.383 flat angles C4'-P-C4' energy: -9.286 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -7.163 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: 7 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -109.847192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.847192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.847192 (E_RNA) where: Base-Base interactions energy: -71.774 where: short stacking energy: -36.227 Base-Backbone interact. energy: -1.720 local terms energy: -36.353978 where: bonds (distance) C4'-P energy: -7.639 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -6.151 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -92.655226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.655226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.655226 (E_RNA) where: Base-Base interactions energy: -61.916 where: short stacking energy: -29.756 Base-Backbone interact. energy: -0.654 local terms energy: -30.084668 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -3.076 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: 10 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -106.148266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.148266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.148266 (E_RNA) where: Base-Base interactions energy: -70.327 where: short stacking energy: -36.084 Base-Backbone interact. energy: -0.255 local terms energy: -35.566347 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.132 flat angles P-C4'-P energy: -5.636 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: 5, replica: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -99.946256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.946256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.946256 (E_RNA) where: Base-Base interactions energy: -70.154 where: short stacking energy: -29.556 Base-Backbone interact. energy: -0.086 local terms energy: -29.705997 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -5.164 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -4.675 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: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -102.904850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.904850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.904850 (E_RNA) where: Base-Base interactions energy: -68.953 where: short stacking energy: -34.793 Base-Backbone interact. energy: 0.330 local terms energy: -34.282004 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -7.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -63.608225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.608225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.608225 (E_RNA) where: Base-Base interactions energy: -36.893 where: short stacking energy: -36.893 Base-Backbone interact. energy: -0.000 local terms energy: -26.715445 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -0.947 tors. eta vs tors. theta energy: -8.218 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: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -53.541260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.541260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.541260 (E_RNA) where: Base-Base interactions energy: -33.049 where: short stacking energy: -18.849 Base-Backbone interact. energy: -0.061 local terms energy: -20.431126 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -56.876873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.876873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.876873 (E_RNA) where: Base-Base interactions energy: -24.798 where: short stacking energy: -24.798 Base-Backbone interact. energy: -0.001 local terms energy: -32.077837 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -3.664 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: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -57.453385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.453385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.453385 (E_RNA) where: Base-Base interactions energy: -25.495 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.026 local terms energy: -31.932149 where: bonds (distance) C4'-P energy: -5.279 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: -6.741 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: 1, replica: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -113.114948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.114948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.114948 (E_RNA) where: Base-Base interactions energy: -71.895 where: short stacking energy: -35.346 Base-Backbone interact. energy: -1.303 local terms energy: -39.916718 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -9.469 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -8.482 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: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -106.149466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.149466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.149466 (E_RNA) where: Base-Base interactions energy: -68.526 where: short stacking energy: -32.976 Base-Backbone interact. energy: -0.001 local terms energy: -37.622428 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.739 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -8.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -107.194458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.194458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.194458 (E_RNA) where: Base-Base interactions energy: -70.363 where: short stacking energy: -36.534 Base-Backbone interact. energy: -1.434 local terms energy: -35.396613 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -6.407 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: 4, replica: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -91.998908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.998908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.998908 (E_RNA) where: Base-Base interactions energy: -58.178 where: short stacking energy: -28.124 Base-Backbone interact. energy: -1.187 local terms energy: -32.633863 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -8.074 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -5.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -100.131599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.131599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.131599 (E_RNA) where: Base-Base interactions energy: -68.712 where: short stacking energy: -30.431 Base-Backbone interact. energy: -0.529 local terms energy: -30.890528 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -7.494 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -1.940 tors. eta vs tors. theta energy: -7.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -90.150861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.150861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.150861 (E_RNA) where: Base-Base interactions energy: -61.070 where: short stacking energy: -31.902 Base-Backbone interact. energy: -0.003 local terms energy: -29.078513 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -54.301665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.301665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.301665 (E_RNA) where: Base-Base interactions energy: -24.137 where: short stacking energy: -17.786 Base-Backbone interact. energy: 0.262 local terms energy: -30.426377 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -5.313 flat angles P-C4'-P energy: -6.012 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: 8, replica: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -60.841621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.841621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.841621 (E_RNA) where: Base-Base interactions energy: -36.913 where: short stacking energy: -21.569 Base-Backbone interact. energy: -0.722 local terms energy: -23.206098 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -0.806 tors. eta vs tors. theta energy: -3.009 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: 4 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -58.259588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.259588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.259588 (E_RNA) where: Base-Base interactions energy: -26.177 where: short stacking energy: -23.758 Base-Backbone interact. energy: -0.001 local terms energy: -32.082101 where: bonds (distance) C4'-P energy: -8.304 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -1.803 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -60.533325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.533325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.533325 (E_RNA) where: Base-Base interactions energy: -25.913 where: short stacking energy: -25.913 Base-Backbone interact. energy: -0.009 local terms energy: -34.611206 where: bonds (distance) C4'-P energy: -7.115 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -3.969 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: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -111.717224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.717224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.717224 (E_RNA) where: Base-Base interactions energy: -73.127 where: short stacking energy: -36.182 Base-Backbone interact. energy: -1.237 local terms energy: -37.353586 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -7.896 tors. eta vs tors. theta energy: -7.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -107.089025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.089025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.089025 (E_RNA) where: Base-Base interactions energy: -66.895 where: short stacking energy: -34.934 Base-Backbone interact. energy: -0.105 local terms energy: -40.089026 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -9.325 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -8.165 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: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -105.454659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.454659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.454659 (E_RNA) where: Base-Base interactions energy: -69.797 where: short stacking energy: -35.375 Base-Backbone interact. energy: -1.183 local terms energy: -34.475275 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -7.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -104.696766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.696766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.696766 (E_RNA) where: Base-Base interactions energy: -69.427 where: short stacking energy: -32.579 Base-Backbone interact. energy: -0.741 local terms energy: -34.529004 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -8.353 flat angles P-C4'-P energy: -4.978 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: 5, replica: 1 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -105.539161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.539161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.539161 (E_RNA) where: Base-Base interactions energy: -70.186 where: short stacking energy: -34.198 Base-Backbone interact. energy: 0.293 local terms energy: -35.646717 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -8.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -92.015765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.015765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.015765 (E_RNA) where: Base-Base interactions energy: -65.230 where: short stacking energy: -30.281 Base-Backbone interact. energy: -1.491 local terms energy: -25.295152 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -4.745 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -2.510 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: 7, replica: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -63.188712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.188712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.188712 (E_RNA) where: Base-Base interactions energy: -30.325 where: short stacking energy: -28.716 Base-Backbone interact. energy: -0.001 local terms energy: -32.862960 where: bonds (distance) C4'-P energy: -3.693 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -6.585 tors. eta vs tors. theta energy: -7.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -57.440988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.440988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.440988 (E_RNA) where: Base-Base interactions energy: -29.575 where: short stacking energy: -29.575 Base-Backbone interact. energy: -0.075 local terms energy: -27.790677 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -1.632 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: 9, replica: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -54.205524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.205524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.205524 (E_RNA) where: Base-Base interactions energy: -23.539 where: short stacking energy: -19.464 Base-Backbone interact. energy: -0.431 local terms energy: -30.235460 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -8.417 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -5.273 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: 10, replica: 2 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -54.899160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.899160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.899160 (E_RNA) where: Base-Base interactions energy: -31.326 where: short stacking energy: -31.326 Base-Backbone interact. energy: -0.001 local terms energy: -23.571802 where: bonds (distance) C4'-P energy: -3.254 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -4.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -108.929047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.929047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.929047 (E_RNA) where: Base-Base interactions energy: -75.121 where: short stacking energy: -37.710 Base-Backbone interact. energy: -1.145 local terms energy: -32.663105 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -3.213 tors. eta vs tors. theta energy: -9.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -107.583371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.583371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.583371 (E_RNA) where: Base-Base interactions energy: -68.975 where: short stacking energy: -36.213 Base-Backbone interact. energy: -1.117 local terms energy: -37.491434 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -6.366 tors. eta vs tors. theta energy: -8.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -99.965879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.965879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.965879 (E_RNA) where: Base-Base interactions energy: -63.976 where: short stacking energy: -30.536 Base-Backbone interact. energy: -0.640 local terms energy: -35.350231 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.811 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -7.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -106.478894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.478894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.478894 (E_RNA) where: Base-Base interactions energy: -69.962 where: short stacking energy: -34.683 Base-Backbone interact. energy: -1.133 local terms energy: -35.384034 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -8.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -98.257110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.257110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.257110 (E_RNA) where: Base-Base interactions energy: -63.063 where: short stacking energy: -30.687 Base-Backbone interact. energy: -1.758 local terms energy: -33.436458 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -5.804 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: 6, replica: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -102.936839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.936839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.936839 (E_RNA) where: Base-Base interactions energy: -68.926 where: short stacking energy: -34.894 Base-Backbone interact. energy: -0.282 local terms energy: -33.728091 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.648 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -7.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -52.329072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.329072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.329072 (E_RNA) where: Base-Base interactions energy: -22.027 where: short stacking energy: -22.027 Base-Backbone interact. energy: -0.001 local terms energy: -30.300873 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.506 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -57.357309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.357309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.357309 (E_RNA) where: Base-Base interactions energy: -33.931 where: short stacking energy: -27.498 Base-Backbone interact. energy: -0.010 local terms energy: -23.416310 where: bonds (distance) C4'-P energy: -1.141 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -2.452 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: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -59.439280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.439280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.439280 (E_RNA) where: Base-Base interactions energy: -31.659 where: short stacking energy: -17.884 Base-Backbone interact. energy: -0.140 local terms energy: -27.640890 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: -1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -56.562902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.562902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.562902 (E_RNA) where: Base-Base interactions energy: -32.761 where: short stacking energy: -18.589 Base-Backbone interact. energy: 0.564 local terms energy: -24.366485 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.328 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -112.268352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.268352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.268352 (E_RNA) where: Base-Base interactions energy: -78.727 where: short stacking energy: -34.248 Base-Backbone interact. energy: -0.001 local terms energy: -33.540506 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -2.183 tors. eta vs tors. theta energy: -8.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -105.106040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.106040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.106040 (E_RNA) where: Base-Base interactions energy: -68.943 where: short stacking energy: -35.452 Base-Backbone interact. energy: -0.231 local terms energy: -35.932430 where: bonds (distance) C4'-P energy: -8.523 bonds (distance) P-C4' energy: -7.582 flat angles C4'-P-C4' energy: -6.408 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -7.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -98.427752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.427752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.427752 (E_RNA) where: Base-Base interactions energy: -66.571 where: short stacking energy: -28.354 Base-Backbone interact. energy: -1.909 local terms energy: -29.948209 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -2.988 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: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -105.116680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.116680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.116680 (E_RNA) where: Base-Base interactions energy: -69.794 where: short stacking energy: -34.839 Base-Backbone interact. energy: -0.003 local terms energy: -35.319808 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -7.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -104.625931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.625931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.625931 (E_RNA) where: Base-Base interactions energy: -64.480 where: short stacking energy: -32.773 Base-Backbone interact. energy: -1.594 local terms energy: -38.551766 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -5.114 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: 185 Temperature: 1.150000 Total energy: -59.327342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.327342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.327342 (E_RNA) where: Base-Base interactions energy: -28.380 where: short stacking energy: -14.205 Base-Backbone interact. energy: -0.533 local terms energy: -30.414579 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -103.516807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.516807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.516807 (E_RNA) where: Base-Base interactions energy: -73.404 where: short stacking energy: -30.334 Base-Backbone interact. energy: -0.004 local terms energy: -30.109338 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -4.937 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -2.134 tors. eta vs tors. theta energy: -8.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -66.778577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.778577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.778577 (E_RNA) where: Base-Base interactions energy: -31.387 where: short stacking energy: -31.387 Base-Backbone interact. energy: -0.000 local terms energy: -35.390957 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -6.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -57.596277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.596277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.596277 (E_RNA) where: Base-Base interactions energy: -28.993 where: short stacking energy: -23.508 Base-Backbone interact. energy: 1.433 local terms energy: -30.036267 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.154 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -4.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -51.982118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.982118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.982118 (E_RNA) where: Base-Base interactions energy: -18.597 where: short stacking energy: -18.597 Base-Backbone interact. energy: -0.001 local terms energy: -33.383864 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -110.805110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.805110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.805110 (E_RNA) where: Base-Base interactions energy: -77.420 where: short stacking energy: -36.916 Base-Backbone interact. energy: -0.488 local terms energy: -32.896939 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -2.818 tors. eta vs tors. theta energy: -8.159 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: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -103.058869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.058869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.058869 (E_RNA) where: Base-Base interactions energy: -71.302 where: short stacking energy: -35.326 Base-Backbone interact. energy: -0.804 local terms energy: -30.952729 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -3.282 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -5.783 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: 3 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -105.285684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.285684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.285684 (E_RNA) where: Base-Base interactions energy: -68.361 where: short stacking energy: -32.152 Base-Backbone interact. energy: -0.633 local terms energy: -36.291427 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -7.197 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: 4, replica: 9 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -104.889351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.889351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.889351 (E_RNA) where: Base-Base interactions energy: -69.895 where: short stacking energy: -34.254 Base-Backbone interact. energy: -0.685 local terms energy: -34.309053 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.311 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -106.016117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.016117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.016117 (E_RNA) where: Base-Base interactions energy: -70.825 where: short stacking energy: -36.201 Base-Backbone interact. energy: -0.004 local terms energy: -35.187841 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -7.208 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -8.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -69.099872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.099872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.099872 (E_RNA) where: Base-Base interactions energy: -37.520 where: short stacking energy: -22.284 Base-Backbone interact. energy: -0.023 local terms energy: -31.557185 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -5.760 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: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -52.961681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.961681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.961681 (E_RNA) where: Base-Base interactions energy: -27.563 where: short stacking energy: -21.577 Base-Backbone interact. energy: 0.829 local terms energy: -26.227642 where: bonds (distance) C4'-P energy: -4.491 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: 0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -90.552820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.552820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.552820 (E_RNA) where: Base-Base interactions energy: -59.510 where: short stacking energy: -26.226 Base-Backbone interact. energy: -0.278 local terms energy: -30.764882 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -4.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -56.177211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.177211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.177211 (E_RNA) where: Base-Base interactions energy: -27.911 where: short stacking energy: -14.882 Base-Backbone interact. energy: -0.000 local terms energy: -28.266449 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -3.574 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -57.643246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.643246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.643246 (E_RNA) where: Base-Base interactions energy: -27.054 where: short stacking energy: -27.054 Base-Backbone interact. energy: -0.005 local terms energy: -30.584853 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -109.428053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.428053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.428053 (E_RNA) where: Base-Base interactions energy: -73.762 where: short stacking energy: -36.873 Base-Backbone interact. energy: -1.009 local terms energy: -34.656286 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -6.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -106.461435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.461435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.461435 (E_RNA) where: Base-Base interactions energy: -69.910 where: short stacking energy: -33.750 Base-Backbone interact. energy: -0.319 local terms energy: -36.232537 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.255 flat angles C4'-P-C4' energy: -8.255 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -6.245 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: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -108.506805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.506805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.506805 (E_RNA) where: Base-Base interactions energy: -72.383 where: short stacking energy: -37.123 Base-Backbone interact. energy: -1.573 local terms energy: -34.550563 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -5.499 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: 4, replica: 10 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -104.030655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.030655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.030655 (E_RNA) where: Base-Base interactions energy: -71.685 where: short stacking energy: -34.952 Base-Backbone interact. energy: -0.008 local terms energy: -32.338318 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -6.323 tors. eta vs tors. theta energy: -7.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -98.341948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.341948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.341948 (E_RNA) where: Base-Base interactions energy: -70.126 where: short stacking energy: -34.169 Base-Backbone interact. energy: -0.675 local terms energy: -27.540994 where: bonds (distance) C4'-P energy: -3.568 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -5.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -69.458939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.458939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.458939 (E_RNA) where: Base-Base interactions energy: -42.657 where: short stacking energy: -22.444 Base-Backbone interact. energy: -0.001 local terms energy: -26.800769 where: bonds (distance) C4'-P energy: -6.788 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -2.839 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: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -62.996140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.996140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.996140 (E_RNA) where: Base-Base interactions energy: -41.343 where: short stacking energy: -13.329 Base-Backbone interact. energy: 0.444 local terms energy: -22.097775 where: bonds (distance) C4'-P energy: -4.338 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -3.664 flat angles P-C4'-P energy: -6.004 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: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -58.662764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.662764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.662764 (E_RNA) where: Base-Base interactions energy: -27.376 where: short stacking energy: -27.376 Base-Backbone interact. energy: -0.002 local terms energy: -31.285114 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -4.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -43.655643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.655643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.655643 (E_RNA) where: Base-Base interactions energy: -15.177 where: short stacking energy: -15.177 Base-Backbone interact. energy: -0.179 local terms energy: -28.299314 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -4.287 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: 187 Temperature: 1.350000 Total energy: -54.765786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.765786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.765786 (E_RNA) where: Base-Base interactions energy: -23.745 where: short stacking energy: -22.252 Base-Backbone interact. energy: -0.001 local terms energy: -31.020149 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -7.312 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: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -112.834999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.834999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.834999 (E_RNA) where: Base-Base interactions energy: -74.007 where: short stacking energy: -37.768 Base-Backbone interact. energy: -0.656 local terms energy: -38.172114 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -9.060 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -8.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -109.939188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.939188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.939188 (E_RNA) where: Base-Base interactions energy: -72.289 where: short stacking energy: -36.471 Base-Backbone interact. energy: -0.783 local terms energy: -36.867351 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -5.724 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: 3, replica: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -112.111641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.111641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.111641 (E_RNA) where: Base-Base interactions energy: -79.611 where: short stacking energy: -31.367 Base-Backbone interact. energy: -0.485 local terms energy: -32.015976 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -2.782 tors. eta vs tors. theta energy: -7.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -106.037374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.037374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.037374 (E_RNA) where: Base-Base interactions energy: -67.152 where: short stacking energy: -35.247 Base-Backbone interact. energy: -0.386 local terms energy: -38.499901 where: bonds (distance) C4'-P energy: -7.252 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.245 flat angles P-C4'-P energy: -7.392 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: 5, replica: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -69.553342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.553342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.553342 (E_RNA) where: Base-Base interactions energy: -45.785 where: short stacking energy: -22.905 Base-Backbone interact. energy: -0.110 local terms energy: -23.658071 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -0.673 tors. eta vs tors. theta energy: -0.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -92.085072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.085072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.085072 (E_RNA) where: Base-Base interactions energy: -57.052 where: short stacking energy: -28.006 Base-Backbone interact. energy: -0.495 local terms energy: -34.537945 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -6.537 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: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -66.043369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.043369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.043369 (E_RNA) where: Base-Base interactions energy: -41.966 where: short stacking energy: -18.404 Base-Backbone interact. energy: -0.006 local terms energy: -24.072332 where: bonds (distance) C4'-P energy: -4.702 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -1.218 tors. eta vs tors. theta energy: -3.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -53.970300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.970300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.970300 (E_RNA) where: Base-Base interactions energy: -22.508 where: short stacking energy: -22.508 Base-Backbone interact. energy: -0.018 local terms energy: -31.444639 where: bonds (distance) C4'-P energy: -5.341 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -3.161 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: 9, replica: 8 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -68.377699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.377699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.377699 (E_RNA) where: Base-Base interactions energy: -38.374 where: short stacking energy: -29.106 Base-Backbone interact. energy: 0.281 local terms energy: -30.284731 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -3.911 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -7.063 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: 10, replica: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -51.813083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.813083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.813083 (E_RNA) where: Base-Base interactions energy: -22.214 where: short stacking energy: -22.214 Base-Backbone interact. energy: -0.101 local terms energy: -29.497733 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -3.093 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -106.117855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.117855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.117855 (E_RNA) where: Base-Base interactions energy: -72.988 where: short stacking energy: -36.385 Base-Backbone interact. energy: -1.796 local terms energy: -31.333735 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -5.840 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -6.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -109.217943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.217943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.217943 (E_RNA) where: Base-Base interactions energy: -71.074 where: short stacking energy: -35.218 Base-Backbone interact. energy: -1.367 local terms energy: -36.777177 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -7.492 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: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -107.477615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.477615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.477615 (E_RNA) where: Base-Base interactions energy: -74.744 where: short stacking energy: -37.510 Base-Backbone interact. energy: -1.363 local terms energy: -31.370300 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -6.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -106.832196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.832196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.832196 (E_RNA) where: Base-Base interactions energy: -74.805 where: short stacking energy: -33.306 Base-Backbone interact. energy: -0.036 local terms energy: -31.991402 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -4.308 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: 5, replica: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -69.526906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.526906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.526906 (E_RNA) where: Base-Base interactions energy: -35.299 where: short stacking energy: -32.754 Base-Backbone interact. energy: -0.000 local terms energy: -34.227083 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.044 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -67.325164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.325164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.325164 (E_RNA) where: Base-Base interactions energy: -50.285 where: short stacking energy: -17.420 Base-Backbone interact. energy: -0.184 local terms energy: -16.855970 where: bonds (distance) C4'-P energy: -5.274 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: 2.141 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: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -96.891703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.891703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.891703 (E_RNA) where: Base-Base interactions energy: -64.435 where: short stacking energy: -29.810 Base-Backbone interact. energy: -0.098 local terms energy: -32.358157 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -5.245 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: 8, replica: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -54.619709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.619709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.619709 (E_RNA) where: Base-Base interactions energy: -27.676 where: short stacking energy: -21.591 Base-Backbone interact. energy: -0.019 local terms energy: -26.924576 where: bonds (distance) C4'-P energy: -5.440 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -1.645 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: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -60.743499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.743499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.743499 (E_RNA) where: Base-Base interactions energy: -29.538 where: short stacking energy: -29.538 Base-Backbone interact. energy: -0.000 local terms energy: -31.205567 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -48.779447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.779447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.779447 (E_RNA) where: Base-Base interactions energy: -22.398 where: short stacking energy: -17.311 Base-Backbone interact. energy: 0.541 local terms energy: -26.922025 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -3.662 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: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -112.914004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.914004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.914004 (E_RNA) where: Base-Base interactions energy: -76.319 where: short stacking energy: -35.348 Base-Backbone interact. energy: -0.553 local terms energy: -36.042094 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.844 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -6.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -98.774163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.774163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.774163 (E_RNA) where: Base-Base interactions energy: -62.491 where: short stacking energy: -32.473 Base-Backbone interact. energy: 0.322 local terms energy: -36.604889 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -6.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -106.323900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.323900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.323900 (E_RNA) where: Base-Base interactions energy: -72.242 where: short stacking energy: -35.896 Base-Backbone interact. energy: -0.007 local terms energy: -34.075314 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -6.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -109.168632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.168632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.168632 (E_RNA) where: Base-Base interactions energy: -71.360 where: short stacking energy: -35.730 Base-Backbone interact. energy: -1.660 local terms energy: -36.148431 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -7.314 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -8.230 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: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -67.338720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.338720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.338720 (E_RNA) where: Base-Base interactions energy: -35.391 where: short stacking energy: -30.287 Base-Backbone interact. energy: -0.052 local terms energy: -31.895296 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -5.244 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: 4 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -69.281249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.281249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.281249 (E_RNA) where: Base-Base interactions energy: -35.733 where: short stacking energy: -21.617 Base-Backbone interact. energy: -0.157 local terms energy: -33.390913 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.087 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -4.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -56.575293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.575293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.575293 (E_RNA) where: Base-Base interactions energy: -28.386 where: short stacking energy: -28.386 Base-Backbone interact. energy: -0.058 local terms energy: -28.131102 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -5.186 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -4.273 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: 190 Temperature: 1.250000 Total energy: -93.733011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.733011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.733011 (E_RNA) where: Base-Base interactions energy: -67.109 where: short stacking energy: -30.188 Base-Backbone interact. energy: -0.001 local terms energy: -26.623600 where: bonds (distance) C4'-P energy: -6.671 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -1.472 tors. eta vs tors. theta energy: -3.950 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: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -54.375534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.375534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.375534 (E_RNA) where: Base-Base interactions energy: -25.400 where: short stacking energy: -25.400 Base-Backbone interact. energy: -0.036 local terms energy: -28.940008 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -2.099 tors. eta vs tors. theta energy: -5.503 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: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -47.423219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.423219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.423219 (E_RNA) where: Base-Base interactions energy: -23.393 where: short stacking energy: -8.652 Base-Backbone interact. energy: -0.079 local terms energy: -23.950959 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: 1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -110.485641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.485641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.485641 (E_RNA) where: Base-Base interactions energy: -74.915 where: short stacking energy: -33.795 Base-Backbone interact. energy: -0.449 local terms energy: -35.121939 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -4.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -106.786878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.786878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.786878 (E_RNA) where: Base-Base interactions energy: -72.302 where: short stacking energy: -35.873 Base-Backbone interact. energy: -0.561 local terms energy: -33.924094 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -6.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -98.988766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.988766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.988766 (E_RNA) where: Base-Base interactions energy: -66.747 where: short stacking energy: -24.138 Base-Backbone interact. energy: -0.989 local terms energy: -31.252791 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -8.104 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -109.464030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.464030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.464030 (E_RNA) where: Base-Base interactions energy: -71.830 where: short stacking energy: -35.470 Base-Backbone interact. energy: -1.767 local terms energy: -35.867152 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.810 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -68.667280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.667280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.667280 (E_RNA) where: Base-Base interactions energy: -33.517 where: short stacking energy: -33.517 Base-Backbone interact. energy: -0.000 local terms energy: -35.150255 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -3.728 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: 6, replica: 4 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -67.703151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.703151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.703151 (E_RNA) where: Base-Base interactions energy: -43.404 where: short stacking energy: -24.494 Base-Backbone interact. energy: -0.138 local terms energy: -24.161103 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -5.432 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -2.521 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: 7, replica: 8 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -59.857082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.857082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.857082 (E_RNA) where: Base-Base interactions energy: -28.113 where: short stacking energy: -22.375 Base-Backbone interact. energy: -0.099 local terms energy: -31.644786 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.750 flat angles P-C4'-P energy: -3.168 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -91.108028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.108028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.108028 (E_RNA) where: Base-Base interactions energy: -59.147 where: short stacking energy: -26.065 Base-Backbone interact. energy: -1.781 local terms energy: -30.179774 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -4.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -68.387847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.387847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.387847 (E_RNA) where: Base-Base interactions energy: -37.329 where: short stacking energy: -23.659 Base-Backbone interact. energy: -0.005 local terms energy: -31.054358 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -52.890335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.890335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.890335 (E_RNA) where: Base-Base interactions energy: -26.334 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.144 local terms energy: -26.411872 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -2.860 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -2.649 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: 1, replica: 5 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -111.342361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.342361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.342361 (E_RNA) where: Base-Base interactions energy: -73.235 where: short stacking energy: -35.557 Base-Backbone interact. energy: -0.524 local terms energy: -37.583181 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -7.659 tors. eta vs tors. theta energy: -7.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -102.999568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.999568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.999568 (E_RNA) where: Base-Base interactions energy: -66.906 where: short stacking energy: -36.425 Base-Backbone interact. energy: -0.008 local terms energy: -36.086192 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -8.168 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: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -107.292809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.292809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.292809 (E_RNA) where: Base-Base interactions energy: -78.562 where: short stacking energy: -33.408 Base-Backbone interact. energy: -0.023 local terms energy: -28.707673 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -2.238 tors. eta vs tors. theta energy: -7.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -95.213412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.213412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.213412 (E_RNA) where: Base-Base interactions energy: -65.731 where: short stacking energy: -25.671 Base-Backbone interact. energy: -0.216 local terms energy: -29.267057 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -3.161 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: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -66.765879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.765879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.765879 (E_RNA) where: Base-Base interactions energy: -34.888 where: short stacking energy: -34.888 Base-Backbone interact. energy: -0.001 local terms energy: -31.876700 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -2.704 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: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -65.799689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.799689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.799689 (E_RNA) where: Base-Base interactions energy: -38.553 where: short stacking energy: -27.234 Base-Backbone interact. energy: -0.368 local terms energy: -26.878992 where: bonds (distance) C4'-P energy: -7.149 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -0.855 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: 9 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -85.327507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.327507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.327507 (E_RNA) where: Base-Base interactions energy: -54.056 where: short stacking energy: -28.928 Base-Backbone interact. energy: -0.004 local terms energy: -31.267903 where: bonds (distance) C4'-P energy: -5.087 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -4.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -58.316974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.316974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.316974 (E_RNA) where: Base-Base interactions energy: -27.920 where: short stacking energy: -25.075 Base-Backbone interact. energy: -0.053 local terms energy: -30.343614 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -5.509 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: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -45.542288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.542288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.542288 (E_RNA) where: Base-Base interactions energy: -18.020 where: short stacking energy: -13.367 Base-Backbone interact. energy: 0.901 local terms energy: -28.422834 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -4.125 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: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -54.423530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.423530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.423530 (E_RNA) where: Base-Base interactions energy: -22.571 where: short stacking energy: -22.571 Base-Backbone interact. energy: -0.041 local terms energy: -31.811663 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.126 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -110.463399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.463399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.463399 (E_RNA) where: Base-Base interactions energy: -69.970 where: short stacking energy: -35.486 Base-Backbone interact. energy: -1.334 local terms energy: -39.159384 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -8.530 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: 2, replica: 3 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -108.226832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.226832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.226832 (E_RNA) where: Base-Base interactions energy: -72.871 where: short stacking energy: -36.897 Base-Backbone interact. energy: -0.478 local terms energy: -34.878388 where: bonds (distance) C4'-P energy: -6.070 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -6.101 tors. eta vs tors. theta energy: -5.633 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: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -109.200823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.200823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.200823 (E_RNA) where: Base-Base interactions energy: -71.361 where: short stacking energy: -36.302 Base-Backbone interact. energy: -0.006 local terms energy: -37.834173 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -8.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -69.153370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.153370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.153370 (E_RNA) where: Base-Base interactions energy: -31.385 where: short stacking energy: -31.385 Base-Backbone interact. energy: -0.000 local terms energy: -37.767941 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -6.509 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: 7 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -101.054001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.054001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.054001 (E_RNA) where: Base-Base interactions energy: -64.799 where: short stacking energy: -31.837 Base-Backbone interact. energy: -0.231 local terms energy: -36.024371 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -5.078 tors. eta vs tors. theta energy: -6.685 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: 9 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -87.623866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.623866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.623866 (E_RNA) where: Base-Base interactions energy: -57.588 where: short stacking energy: -28.870 Base-Backbone interact. energy: -1.170 local terms energy: -28.866242 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -5.196 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -4.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -61.500118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.500118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.500118 (E_RNA) where: Base-Base interactions energy: -28.346 where: short stacking energy: -28.346 Base-Backbone interact. energy: -0.024 local terms energy: -33.130522 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -4.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -64.961603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.961603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.961603 (E_RNA) where: Base-Base interactions energy: -29.602 where: short stacking energy: -29.602 Base-Backbone interact. energy: -0.000 local terms energy: -35.359618 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: -6.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -55.118039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.118039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.118039 (E_RNA) where: Base-Base interactions energy: -31.304 where: short stacking energy: -31.304 Base-Backbone interact. energy: -0.000 local terms energy: -23.814230 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -5.316 flat angles C4'-P-C4' energy: -3.422 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -6.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -55.708419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.708419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.708419 (E_RNA) where: Base-Base interactions energy: -25.112 where: short stacking energy: -25.112 Base-Backbone interact. energy: 0.147 local terms energy: -30.743040 where: bonds (distance) C4'-P energy: -3.805 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -7.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -109.552678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.552678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.552678 (E_RNA) where: Base-Base interactions energy: -73.245 where: short stacking energy: -38.182 Base-Backbone interact. energy: -0.076 local terms energy: -36.231844 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -9.238 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -108.353404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.353404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.353404 (E_RNA) where: Base-Base interactions energy: -72.366 where: short stacking energy: -36.938 Base-Backbone interact. energy: -0.471 local terms energy: -35.516583 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -107.178799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.178799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.178799 (E_RNA) where: Base-Base interactions energy: -72.567 where: short stacking energy: -36.461 Base-Backbone interact. energy: -0.979 local terms energy: -33.633236 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -8.433 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -6.099 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: 4, replica: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -73.330615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.330615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.330615 (E_RNA) where: Base-Base interactions energy: -39.433 where: short stacking energy: -39.433 Base-Backbone interact. energy: -0.000 local terms energy: -33.897177 where: bonds (distance) C4'-P energy: -5.638 bonds (distance) P-C4' energy: -6.634 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -11.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -93.281663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.281663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.281663 (E_RNA) where: Base-Base interactions energy: -59.797 where: short stacking energy: -26.753 Base-Backbone interact. energy: -0.899 local terms energy: -32.585336 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -2.792 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: 194 Temperature: 1.150000 Total energy: -96.534640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.534640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.534640 (E_RNA) where: Base-Base interactions energy: -68.704 where: short stacking energy: -32.409 Base-Backbone interact. energy: -0.018 local terms energy: -27.812750 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -6.588 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -5.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -78.952365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.952365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.952365 (E_RNA) where: Base-Base interactions energy: -49.788 where: short stacking energy: -30.560 Base-Backbone interact. energy: -0.010 local terms energy: -29.154714 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -2.671 tors. eta vs tors. theta energy: -5.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -60.814726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.814726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.814726 (E_RNA) where: Base-Base interactions energy: -34.672 where: short stacking energy: -17.291 Base-Backbone interact. energy: -0.138 local terms energy: -26.004469 where: bonds (distance) C4'-P energy: -3.958 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -2.484 tors. eta vs tors. theta energy: -3.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -53.782989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.782989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.782989 (E_RNA) where: Base-Base interactions energy: -22.623 where: short stacking energy: -22.623 Base-Backbone interact. energy: -0.013 local terms energy: -31.147642 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -6.507 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: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -63.740237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.740237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.740237 (E_RNA) where: Base-Base interactions energy: -29.155 where: short stacking energy: -29.155 Base-Backbone interact. energy: -0.000 local terms energy: -34.585226 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -6.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -108.029487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.029487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.029487 (E_RNA) where: Base-Base interactions energy: -72.844 where: short stacking energy: -36.085 Base-Backbone interact. energy: -0.732 local terms energy: -34.453436 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -5.158 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: 2, replica: 10 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -113.248801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.248801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.248801 (E_RNA) where: Base-Base interactions energy: -83.484 where: short stacking energy: -32.782 Base-Backbone interact. energy: -0.420 local terms energy: -29.344988 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -5.535 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -1.259 tors. eta vs tors. theta energy: -7.694 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: 5 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -105.654931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.654931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.654931 (E_RNA) where: Base-Base interactions energy: -69.321 where: short stacking energy: -35.334 Base-Backbone interact. energy: -0.535 local terms energy: -35.798900 where: bonds (distance) C4'-P energy: -5.646 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -6.992 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: 4, replica: 9 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -111.426237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.426237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.426237 (E_RNA) where: Base-Base interactions energy: -70.952 where: short stacking energy: -35.015 Base-Backbone interact. energy: -0.610 local terms energy: -39.864492 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -7.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -87.455837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.455837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.455837 (E_RNA) where: Base-Base interactions energy: -57.701 where: short stacking energy: -34.824 Base-Backbone interact. energy: 0.782 local terms energy: -30.536632 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -1.545 tors. eta vs tors. theta energy: -5.536 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: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -83.359278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.359278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.359278 (E_RNA) where: Base-Base interactions energy: -50.868 where: short stacking energy: -25.862 Base-Backbone interact. energy: -0.014 local terms energy: -32.477694 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -3.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -55.988586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.988586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.988586 (E_RNA) where: Base-Base interactions energy: -34.558 where: short stacking energy: -21.497 Base-Backbone interact. energy: -0.207 local terms energy: -21.223830 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: 0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -55.991409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.991409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.991409 (E_RNA) where: Base-Base interactions energy: -25.547 where: short stacking energy: -20.562 Base-Backbone interact. energy: -0.058 local terms energy: -30.385923 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -2.010 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: 9, replica: 6 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -50.083613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.083613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.083613 (E_RNA) where: Base-Base interactions energy: -22.708 where: short stacking energy: -18.028 Base-Backbone interact. energy: -0.004 local terms energy: -27.372304 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -6.199 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -65.725496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.725496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.725496 (E_RNA) where: Base-Base interactions energy: -40.661 where: short stacking energy: -14.888 Base-Backbone interact. energy: -0.102 local terms energy: -24.963084 where: bonds (distance) C4'-P energy: -1.859 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -6.247 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -114.294742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.294742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.294742 (E_RNA) where: Base-Base interactions energy: -83.703 where: short stacking energy: -30.488 Base-Backbone interact. energy: -0.153 local terms energy: -30.438900 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -4.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -110.460202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.460202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.460202 (E_RNA) where: Base-Base interactions energy: -72.469 where: short stacking energy: -36.810 Base-Backbone interact. energy: -0.540 local terms energy: -37.450683 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -5.276 tors. eta vs tors. theta energy: -6.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -108.022338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.022338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.022338 (E_RNA) where: Base-Base interactions energy: -68.575 where: short stacking energy: -34.136 Base-Backbone interact. energy: -1.317 local terms energy: -38.130168 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -7.917 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: 196 Temperature: 1.050000 Total energy: -105.657513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.657513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.657513 (E_RNA) where: Base-Base interactions energy: -70.865 where: short stacking energy: -34.857 Base-Backbone interact. energy: -1.002 local terms energy: -33.790152 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -7.906 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: 5, replica: 2 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -99.214538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.214538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.214538 (E_RNA) where: Base-Base interactions energy: -64.669 where: short stacking energy: -27.892 Base-Backbone interact. energy: -0.013 local terms energy: -34.532109 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -5.418 tors. eta vs tors. theta energy: -9.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -72.964080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.964080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.964080 (E_RNA) where: Base-Base interactions energy: -45.830 where: short stacking energy: -28.195 Base-Backbone interact. energy: -0.040 local terms energy: -27.094407 where: bonds (distance) C4'-P energy: -3.075 bonds (distance) P-C4' energy: -4.760 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: -6.459 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: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -67.410357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.410357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.410357 (E_RNA) where: Base-Base interactions energy: -41.045 where: short stacking energy: -30.552 Base-Backbone interact. energy: -0.032 local terms energy: -26.333805 where: bonds (distance) C4'-P energy: -6.330 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -8.471 flat angles P-C4'-P energy: -0.183 tors. eta vs tors. theta energy: -5.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -57.144176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.144176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.144176 (E_RNA) where: Base-Base interactions energy: -30.519 where: short stacking energy: -12.648 Base-Backbone interact. energy: -0.068 local terms energy: -26.557105 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -3.875 flat angles P-C4'-P energy: -3.025 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: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -54.495397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.495397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.495397 (E_RNA) where: Base-Base interactions energy: -27.170 where: short stacking energy: -27.170 Base-Backbone interact. energy: -0.171 local terms energy: -27.154046 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -1.370 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: 10, replica: 6 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -51.614789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.614789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.614789 (E_RNA) where: Base-Base interactions energy: -27.063 where: short stacking energy: -22.611 Base-Backbone interact. energy: -0.000 local terms energy: -24.551591 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: 0.358 flat angles P-C4'-P energy: -6.273 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: 1, replica: 10 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -111.041021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.041021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.041021 (E_RNA) where: Base-Base interactions energy: -77.166 where: short stacking energy: -34.738 Base-Backbone interact. energy: -0.678 local terms energy: -33.197667 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -109.456793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.456793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.456793 (E_RNA) where: Base-Base interactions energy: -72.111 where: short stacking energy: -35.405 Base-Backbone interact. energy: -1.723 local terms energy: -35.623377 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -100.776932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.776932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.776932 (E_RNA) where: Base-Base interactions energy: -63.480 where: short stacking energy: -32.593 Base-Backbone interact. energy: -0.309 local terms energy: -36.988251 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.541 flat angles P-C4'-P energy: -6.976 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: 4, replica: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -104.153843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.153843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.153843 (E_RNA) where: Base-Base interactions energy: -68.884 where: short stacking energy: -34.235 Base-Backbone interact. energy: -0.137 local terms energy: -35.132606 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -6.759 tors. eta vs tors. theta energy: -7.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -95.319314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.319314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.319314 (E_RNA) where: Base-Base interactions energy: -61.900 where: short stacking energy: -28.456 Base-Backbone interact. energy: -1.037 local terms energy: -32.382571 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -5.396 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: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -90.247758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.247758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.247758 (E_RNA) where: Base-Base interactions energy: -64.106 where: short stacking energy: -30.202 Base-Backbone interact. energy: -0.007 local terms energy: -26.135094 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -74.240766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.240766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.240766 (E_RNA) where: Base-Base interactions energy: -43.260 where: short stacking energy: -29.934 Base-Backbone interact. energy: -0.729 local terms energy: -30.251585 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -7.716 flat angles P-C4'-P energy: -3.204 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: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -56.281665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.281665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.281665 (E_RNA) where: Base-Base interactions energy: -26.576 where: short stacking energy: -26.576 Base-Backbone interact. energy: -0.000 local terms energy: -29.705911 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.776 flat angles P-C4'-P energy: -6.692 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: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -46.318171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.318171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.318171 (E_RNA) where: Base-Base interactions energy: -15.911 where: short stacking energy: -15.911 Base-Backbone interact. energy: -0.016 local terms energy: -30.391405 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.588 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -51.708476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.708476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.708476 (E_RNA) where: Base-Base interactions energy: -21.332 where: short stacking energy: -21.332 Base-Backbone interact. energy: -0.002 local terms energy: -30.374625 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -3.358 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -107.607075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.607075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.607075 (E_RNA) where: Base-Base interactions energy: -68.912 where: short stacking energy: -33.386 Base-Backbone interact. energy: -0.008 local terms energy: -38.686553 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -7.447 tors. eta vs tors. theta energy: -6.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -113.264719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.264719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.264719 (E_RNA) where: Base-Base interactions energy: -83.688 where: short stacking energy: -33.667 Base-Backbone interact. energy: -0.039 local terms energy: -29.538477 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.861 flat angles P-C4'-P energy: -0.739 tors. eta vs tors. theta energy: -5.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -107.856429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.856429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.856429 (E_RNA) where: Base-Base interactions energy: -71.094 where: short stacking energy: -34.683 Base-Backbone interact. energy: -1.819 local terms energy: -34.943401 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -7.864 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: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -115.184379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.184379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.184379 (E_RNA) where: Base-Base interactions energy: -85.688 where: short stacking energy: -33.708 Base-Backbone interact. energy: -0.007 local terms energy: -29.489626 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -0.769 tors. eta vs tors. theta energy: -6.273 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: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -92.645162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.645162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.645162 (E_RNA) where: Base-Base interactions energy: -62.010 where: short stacking energy: -29.419 Base-Backbone interact. energy: -0.015 local terms energy: -30.620677 where: bonds (distance) C4'-P energy: -4.470 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -5.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -79.137089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.137089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.137089 (E_RNA) where: Base-Base interactions energy: -44.205 where: short stacking energy: -44.205 Base-Backbone interact. energy: -0.000 local terms energy: -34.931689 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -9.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -52.745760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.745760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.745760 (E_RNA) where: Base-Base interactions energy: -30.350 where: short stacking energy: -10.749 Base-Backbone interact. energy: -0.057 local terms energy: -22.339093 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -6.318 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: 8 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -65.271116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.271116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.271116 (E_RNA) where: Base-Base interactions energy: -39.074 where: short stacking energy: -20.623 Base-Backbone interact. energy: -0.975 local terms energy: -25.222535 where: bonds (distance) C4'-P energy: -3.391 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -53.374254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.374254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.374254 (E_RNA) where: Base-Base interactions energy: -26.771 where: short stacking energy: -26.771 Base-Backbone interact. energy: -0.012 local terms energy: -26.592079 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -4.373 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -53.501526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.501526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.501526 (E_RNA) where: Base-Base interactions energy: -26.797 where: short stacking energy: -26.797 Base-Backbone interact. energy: -0.423 local terms energy: -26.281085 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -6.516 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: -3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -111.226697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.226697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.226697 (E_RNA) where: Base-Base interactions energy: -71.827 where: short stacking energy: -35.302 Base-Backbone interact. energy: -0.761 local terms energy: -38.638914 where: bonds (distance) C4'-P energy: -7.612 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -8.430 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: 9 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -102.927374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.927374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.927374 (E_RNA) where: Base-Base interactions energy: -66.128 where: short stacking energy: -30.148 Base-Backbone interact. energy: -1.746 local terms energy: -35.052661 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -111.542166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.542166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.542166 (E_RNA) where: Base-Base interactions energy: -84.173 where: short stacking energy: -35.529 Base-Backbone interact. energy: -0.045 local terms energy: -27.324750 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -0.429 tors. eta vs tors. theta energy: -6.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -100.097386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.097386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.097386 (E_RNA) where: Base-Base interactions energy: -63.175 where: short stacking energy: -31.001 Base-Backbone interact. energy: -1.082 local terms energy: -35.840540 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -7.204 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: 5, replica: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -96.229643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.229643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.229643 (E_RNA) where: Base-Base interactions energy: -63.218 where: short stacking energy: -28.440 Base-Backbone interact. energy: -0.528 local terms energy: -32.483678 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -8.655 flat angles P-C4'-P energy: -6.046 tors. eta vs tors. theta energy: -4.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -67.436256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.436256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.436256 (E_RNA) where: Base-Base interactions energy: -40.717 where: short stacking energy: -34.082 Base-Backbone interact. energy: -0.008 local terms energy: -26.711624 where: bonds (distance) C4'-P energy: -2.315 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -8.015 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: 7, replica: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -51.747999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.747999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.747999 (E_RNA) where: Base-Base interactions energy: -20.105 where: short stacking energy: -18.920 Base-Backbone interact. energy: -0.040 local terms energy: -31.603195 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -2.031 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: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -76.020362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.020362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.020362 (E_RNA) where: Base-Base interactions energy: -44.199 where: short stacking energy: -28.217 Base-Backbone interact. energy: -0.797 local terms energy: -31.024369 where: bonds (distance) C4'-P energy: -7.245 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -3.456 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: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -51.109031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.109031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.109031 (E_RNA) where: Base-Base interactions energy: -16.697 where: short stacking energy: -16.697 Base-Backbone interact. energy: -0.008 local terms energy: -34.403729 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.357 flat angles C4'-P-C4' energy: -8.772 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -5.225 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: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -48.865600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.865600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.865600 (E_RNA) where: Base-Base interactions energy: -23.484 where: short stacking energy: -23.484 Base-Backbone interact. energy: -0.034 local terms energy: -25.347641 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.580 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -2.941 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: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -107.142181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.142181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.142181 (E_RNA) where: Base-Base interactions energy: -69.170 where: short stacking energy: -35.774 Base-Backbone interact. energy: -0.826 local terms energy: -37.146055 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.106 flat angles P-C4'-P energy: -7.221 tors. eta vs tors. theta energy: -7.110 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: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -100.210082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.210082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.210082 (E_RNA) where: Base-Base interactions energy: -65.045 where: short stacking energy: -28.585 Base-Backbone interact. energy: -0.970 local terms energy: -34.195426 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: -5.959 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: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -105.657335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.657335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.657335 (E_RNA) where: Base-Base interactions energy: -67.808 where: short stacking energy: -33.899 Base-Backbone interact. energy: -0.382 local terms energy: -37.467206 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -6.817 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: 10 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -100.776029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.776029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.776029 (E_RNA) where: Base-Base interactions energy: -67.908 where: short stacking energy: -31.221 Base-Backbone interact. energy: 0.375 local terms energy: -33.243403 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -5.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -94.464900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.464900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.464900 (E_RNA) where: Base-Base interactions energy: -63.101 where: short stacking energy: -31.713 Base-Backbone interact. energy: -0.008 local terms energy: -31.355698 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -3.029 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: 6, replica: 4 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -63.410784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.410784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.410784 (E_RNA) where: Base-Base interactions energy: -29.286 where: short stacking energy: -29.286 Base-Backbone interact. energy: -0.000 local terms energy: -34.124341 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -3.758 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: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -63.819062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.819062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.819062 (E_RNA) where: Base-Base interactions energy: -39.690 where: short stacking energy: -15.355 Base-Backbone interact. energy: -0.469 local terms energy: -23.660168 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -5.536 flat angles C4'-P-C4' energy: -2.625 flat angles P-C4'-P energy: -2.302 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -53.972419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.972419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.972419 (E_RNA) where: Base-Base interactions energy: -26.845 where: short stacking energy: -10.396 Base-Backbone interact. energy: -0.100 local terms energy: -27.027023 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -5.651 tors. eta vs tors. theta energy: -0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -53.013498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.013498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.013498 (E_RNA) where: Base-Base interactions energy: -26.851 where: short stacking energy: -16.428 Base-Backbone interact. energy: -0.092 local terms energy: -26.070953 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -47.686140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.686140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.686140 (E_RNA) where: Base-Base interactions energy: -23.943 where: short stacking energy: -23.943 Base-Backbone interact. energy: -0.090 local terms energy: -23.653197 where: bonds (distance) C4'-P energy: -4.644 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -1.589 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: 1, replica: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -115.856729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.856729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.856729 (E_RNA) where: Base-Base interactions energy: -87.077 where: short stacking energy: -35.943 Base-Backbone interact. energy: -0.077 local terms energy: -28.703209 where: bonds (distance) C4'-P energy: -4.765 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -5.582 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: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -107.336400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.336400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.336400 (E_RNA) where: Base-Base interactions energy: -72.651 where: short stacking energy: -35.630 Base-Backbone interact. energy: -0.010 local terms energy: -34.675077 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -5.157 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: 3, replica: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -111.398595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.398595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.398595 (E_RNA) where: Base-Base interactions energy: -80.273 where: short stacking energy: -30.783 Base-Backbone interact. energy: -0.152 local terms energy: -30.972966 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -96.342813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.342813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.342813 (E_RNA) where: Base-Base interactions energy: -65.998 where: short stacking energy: -30.626 Base-Backbone interact. energy: -0.572 local terms energy: -29.772784 where: bonds (distance) C4'-P energy: -6.262 bonds (distance) P-C4' energy: -6.172 flat angles C4'-P-C4' energy: -8.172 flat angles P-C4'-P energy: -6.075 tors. eta vs tors. theta energy: -3.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -103.767100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.767100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.767100 (E_RNA) where: Base-Base interactions energy: -77.805 where: short stacking energy: -32.423 Base-Backbone interact. energy: -0.007 local terms energy: -25.955224 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -1.060 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: 6, replica: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -73.637207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.637207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.637207 (E_RNA) where: Base-Base interactions energy: -40.830 where: short stacking energy: -33.120 Base-Backbone interact. energy: -0.000 local terms energy: -32.807152 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.281 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -5.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -67.086739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.086739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.086739 (E_RNA) where: Base-Base interactions energy: -31.937 where: short stacking energy: -31.937 Base-Backbone interact. energy: -0.000 local terms energy: -35.149900 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -2.045 tors. eta vs tors. theta energy: -9.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -91.115170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.115170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.115170 (E_RNA) where: Base-Base interactions energy: -63.528 where: short stacking energy: -28.453 Base-Backbone interact. energy: -0.005 local terms energy: -27.582805 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -54.067996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.067996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.067996 (E_RNA) where: Base-Base interactions energy: -29.498 where: short stacking energy: -21.897 Base-Backbone interact. energy: -0.001 local terms energy: -24.568922 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -6.348 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -51.799529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.799529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.799529 (E_RNA) where: Base-Base interactions energy: -21.536 where: short stacking energy: -21.536 Base-Backbone interact. energy: -0.026 local terms energy: -30.237316 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -109.353483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.353483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.353483 (E_RNA) where: Base-Base interactions energy: -73.413 where: short stacking energy: -37.523 Base-Backbone interact. energy: -0.249 local terms energy: -35.691700 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -6.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -107.036445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.036445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.036445 (E_RNA) where: Base-Base interactions energy: -76.868 where: short stacking energy: -33.361 Base-Backbone interact. energy: -0.001 local terms energy: -30.167779 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -0.889 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: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -68.360571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.360571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.360571 (E_RNA) where: Base-Base interactions energy: -50.073 where: short stacking energy: -17.323 Base-Backbone interact. energy: -0.036 local terms energy: -18.251298 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -1.790 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: 0.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -105.997114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.997114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.997114 (E_RNA) where: Base-Base interactions energy: -67.851 where: short stacking energy: -34.192 Base-Backbone interact. energy: -0.057 local terms energy: -38.089498 where: bonds (distance) C4'-P energy: -8.458 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -5.319 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: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -60.039933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.039933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.039933 (E_RNA) where: Base-Base interactions energy: -35.203 where: short stacking energy: -27.124 Base-Backbone interact. energy: 0.248 local terms energy: -25.084659 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -6.179 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -1.794 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -95.848424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.848424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.848424 (E_RNA) where: Base-Base interactions energy: -60.379 where: short stacking energy: -23.801 Base-Backbone interact. energy: -0.656 local terms energy: -34.813487 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -4.940 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: 7, replica: 7 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -91.178006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.178006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.178006 (E_RNA) where: Base-Base interactions energy: -61.260 where: short stacking energy: -27.639 Base-Backbone interact. energy: -0.418 local terms energy: -29.499386 where: bonds (distance) C4'-P energy: -6.011 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -4.942 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: 8, replica: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -55.769815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.769815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.769815 (E_RNA) where: Base-Base interactions energy: -23.857 where: short stacking energy: -23.857 Base-Backbone interact. energy: -0.171 local terms energy: -31.741315 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -5.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -62.347223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.347223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.347223 (E_RNA) where: Base-Base interactions energy: -33.471 where: short stacking energy: -26.897 Base-Backbone interact. energy: -0.000 local terms energy: -28.876216 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: 0.344 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: 10, replica: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -74.014727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.014727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.014727 (E_RNA) where: Base-Base interactions energy: -45.170 where: short stacking energy: -17.053 Base-Backbone interact. energy: -0.278 local terms energy: -28.566363 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -9.100 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -107.099152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.099152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.099152 (E_RNA) where: Base-Base interactions energy: -69.272 where: short stacking energy: -34.874 Base-Backbone interact. energy: -0.068 local terms energy: -37.758827 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -9.100 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -110.170868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.170868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.170868 (E_RNA) where: Base-Base interactions energy: -72.979 where: short stacking energy: -36.233 Base-Backbone interact. energy: -0.958 local terms energy: -36.233428 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -8.408 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: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -89.314337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.314337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.314337 (E_RNA) where: Base-Base interactions energy: -55.580 where: short stacking energy: -25.744 Base-Backbone interact. energy: -0.270 local terms energy: -33.464362 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -99.491289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.491289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.491289 (E_RNA) where: Base-Base interactions energy: -68.783 where: short stacking energy: -33.471 Base-Backbone interact. energy: -0.051 local terms energy: -30.656638 where: bonds (distance) C4'-P energy: -3.383 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -4.295 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: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -64.898071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.898071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.898071 (E_RNA) where: Base-Base interactions energy: -35.224 where: short stacking energy: -23.588 Base-Backbone interact. energy: -0.023 local terms energy: -29.651542 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -2.022 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: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -100.544518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.544518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.544518 (E_RNA) where: Base-Base interactions energy: -70.182 where: short stacking energy: -34.543 Base-Backbone interact. energy: -0.365 local terms energy: -29.997758 where: bonds (distance) C4'-P energy: -4.065 bonds (distance) P-C4' energy: -8.315 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -6.114 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -83.882228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.882228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.882228 (E_RNA) where: Base-Base interactions energy: -60.223 where: short stacking energy: -22.427 Base-Backbone interact. energy: -0.112 local terms energy: -23.547763 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -68.678633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.678633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.678633 (E_RNA) where: Base-Base interactions energy: -39.882 where: short stacking energy: -27.183 Base-Backbone interact. energy: -0.000 local terms energy: -28.796793 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -5.376 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -2.364 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: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -64.794730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.794730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.794730 (E_RNA) where: Base-Base interactions energy: -38.356 where: short stacking energy: -27.456 Base-Backbone interact. energy: -0.303 local terms energy: -26.135864 where: bonds (distance) C4'-P energy: -3.438 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -3.568 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: 10, replica: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -54.253486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.253486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.253486 (E_RNA) where: Base-Base interactions energy: -26.596 where: short stacking energy: -26.596 Base-Backbone interact. energy: -0.002 local terms energy: -27.654531 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.848 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -111.249130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.249130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.249130 (E_RNA) where: Base-Base interactions energy: -71.313 where: short stacking energy: -34.508 Base-Backbone interact. energy: -1.901 local terms energy: -38.035707 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.337 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -6.957 tors. eta vs tors. theta energy: -9.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -106.689614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.689614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.689614 (E_RNA) where: Base-Base interactions energy: -74.117 where: short stacking energy: -37.170 Base-Backbone interact. energy: -0.065 local terms energy: -32.506844 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -5.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -107.676216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.676216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.676216 (E_RNA) where: Base-Base interactions energy: -72.900 where: short stacking energy: -36.531 Base-Backbone interact. energy: -0.964 local terms energy: -33.811658 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -5.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -103.926380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.926380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.926380 (E_RNA) where: Base-Base interactions energy: -69.346 where: short stacking energy: -29.224 Base-Backbone interact. energy: -0.110 local terms energy: -34.470738 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -7.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -97.035553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.035553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.035553 (E_RNA) where: Base-Base interactions energy: -67.749 where: short stacking energy: -33.934 Base-Backbone interact. energy: -0.025 local terms energy: -29.261068 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -1.382 tors. eta vs tors. theta energy: -7.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -60.273790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.273790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.273790 (E_RNA) where: Base-Base interactions energy: -28.880 where: short stacking energy: -24.985 Base-Backbone interact. energy: -0.017 local terms energy: -31.376589 where: bonds (distance) C4'-P energy: -6.378 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.915 flat angles P-C4'-P energy: -2.450 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: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -65.525748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.525748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.525748 (E_RNA) where: Base-Base interactions energy: -31.808 where: short stacking energy: -23.930 Base-Backbone interact. energy: -1.166 local terms energy: -32.552281 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -8.141 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -5.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -62.255023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.255023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.255023 (E_RNA) where: Base-Base interactions energy: -36.066 where: short stacking energy: -18.710 Base-Backbone interact. energy: -0.104 local terms energy: -26.084303 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -5.766 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: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -55.563356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.563356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.563356 (E_RNA) where: Base-Base interactions energy: -26.735 where: short stacking energy: -26.735 Base-Backbone interact. energy: -0.004 local terms energy: -28.824473 where: bonds (distance) C4'-P energy: -6.110 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -6.694 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: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -58.937230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.937230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.937230 (E_RNA) where: Base-Base interactions energy: -28.043 where: short stacking energy: -28.043 Base-Backbone interact. energy: -0.000 local terms energy: -30.893930 where: bonds (distance) C4'-P energy: -5.602 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -7.230 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: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -109.407699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.407699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.407699 (E_RNA) where: Base-Base interactions energy: -77.244 where: short stacking energy: -30.299 Base-Backbone interact. energy: -0.011 local terms energy: -32.152618 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -2.631 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -108.272058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.272058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.272058 (E_RNA) where: Base-Base interactions energy: -69.636 where: short stacking energy: -33.406 Base-Backbone interact. energy: -1.337 local terms energy: -37.299481 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -7.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -106.528639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.528639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.528639 (E_RNA) where: Base-Base interactions energy: -68.149 where: short stacking energy: -30.275 Base-Backbone interact. energy: -0.038 local terms energy: -38.342177 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -6.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -104.680350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.680350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.680350 (E_RNA) where: Base-Base interactions energy: -70.222 where: short stacking energy: -35.031 Base-Backbone interact. energy: -1.130 local terms energy: -33.328253 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.512 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -5.747 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: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -92.304150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.304150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.304150 (E_RNA) where: Base-Base interactions energy: -62.759 where: short stacking energy: -28.766 Base-Backbone interact. energy: -0.021 local terms energy: -29.524063 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -6.437 tors. eta vs tors. theta energy: -0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -70.718932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.718932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.718932 (E_RNA) where: Base-Base interactions energy: -32.637 where: short stacking energy: -32.637 Base-Backbone interact. energy: -0.000 local terms energy: -38.081081 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -5.173 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: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -50.382049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.382049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.382049 (E_RNA) where: Base-Base interactions energy: -23.771 where: short stacking energy: -23.771 Base-Backbone interact. energy: -0.002 local terms energy: -26.609246 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -0.793 tors. eta vs tors. theta energy: -6.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -62.663590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.663590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.663590 (E_RNA) where: Base-Base interactions energy: -34.333 where: short stacking energy: -24.063 Base-Backbone interact. energy: -0.000 local terms energy: -28.329728 where: bonds (distance) C4'-P energy: -4.648 bonds (distance) P-C4' energy: -6.230 flat angles C4'-P-C4' energy: -8.204 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -56.327506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.327506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.327506 (E_RNA) where: Base-Base interactions energy: -34.439 where: short stacking energy: -18.780 Base-Backbone interact. energy: -0.013 local terms energy: -21.875571 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -5.808 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: 0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -50.913030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.913030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.913030 (E_RNA) where: Base-Base interactions energy: -25.642 where: short stacking energy: -17.266 Base-Backbone interact. energy: -0.160 local terms energy: -25.111164 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.473 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -2.192 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: 1, replica: 9 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -108.730392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.730392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.730392 (E_RNA) where: Base-Base interactions energy: -70.925 where: short stacking energy: -35.019 Base-Backbone interact. energy: -1.104 local terms energy: -36.701417 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -6.765 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: 2, replica: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -107.205471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.205471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.205471 (E_RNA) where: Base-Base interactions energy: -72.540 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.646 local terms energy: -34.019519 where: bonds (distance) C4'-P energy: -6.508 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -5.291 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: 3, replica: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -103.513965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.513965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.513965 (E_RNA) where: Base-Base interactions energy: -66.267 where: short stacking energy: -34.798 Base-Backbone interact. energy: -0.001 local terms energy: -37.246419 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -8.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -102.108839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.108839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.108839 (E_RNA) where: Base-Base interactions energy: -68.506 where: short stacking energy: -34.084 Base-Backbone interact. energy: -0.013 local terms energy: -33.589844 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -7.268 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -5.419 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: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -112.653331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.653331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.653331 (E_RNA) where: Base-Base interactions energy: -85.653 where: short stacking energy: -35.565 Base-Backbone interact. energy: -0.331 local terms energy: -26.669186 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -0.202 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: 6, replica: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -61.970763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.970763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.970763 (E_RNA) where: Base-Base interactions energy: -30.710 where: short stacking energy: -24.373 Base-Backbone interact. energy: -0.051 local terms energy: -31.209921 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.458 flat angles P-C4'-P energy: -6.400 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: 7, replica: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -84.659290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.659290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.659290 (E_RNA) where: Base-Base interactions energy: -51.681 where: short stacking energy: -27.771 Base-Backbone interact. energy: -0.010 local terms energy: -32.968310 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -8.011 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -4.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -69.631765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.631765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.631765 (E_RNA) where: Base-Base interactions energy: -41.297 where: short stacking energy: -18.789 Base-Backbone interact. energy: -0.015 local terms energy: -28.320319 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -0.556 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -48.110182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.110182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.110182 (E_RNA) where: Base-Base interactions energy: -19.137 where: short stacking energy: -18.692 Base-Backbone interact. energy: -0.776 local terms energy: -28.197712 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -7.081 flat angles C4'-P-C4' energy: -8.226 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -51.237104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.237104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.237104 (E_RNA) where: Base-Base interactions energy: -28.241 where: short stacking energy: -12.607 Base-Backbone interact. energy: -0.473 local terms energy: -22.523504 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: 2.537 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: 9 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -114.711665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.711665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.711665 (E_RNA) where: Base-Base interactions energy: -73.322 where: short stacking energy: -35.629 Base-Backbone interact. energy: -0.634 local terms energy: -40.755343 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.818 flat angles P-C4'-P energy: -6.718 tors. eta vs tors. theta energy: -7.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -105.294550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.294550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.294550 (E_RNA) where: Base-Base interactions energy: -72.686 where: short stacking energy: -34.013 Base-Backbone interact. energy: -0.062 local terms energy: -32.546943 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -103.199158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.199158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.199158 (E_RNA) where: Base-Base interactions energy: -67.154 where: short stacking energy: -29.527 Base-Backbone interact. energy: -0.257 local terms energy: -35.788007 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -5.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -116.624346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.624346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.624346 (E_RNA) where: Base-Base interactions energy: -84.772 where: short stacking energy: -34.025 Base-Backbone interact. energy: -0.484 local terms energy: -31.368950 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.513 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -1.157 tors. eta vs tors. theta energy: -6.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -102.495278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.495278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.495278 (E_RNA) where: Base-Base interactions energy: -69.257 where: short stacking energy: -29.784 Base-Backbone interact. energy: -0.000 local terms energy: -33.238342 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -2.322 tors. eta vs tors. theta energy: -7.452 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: 6, replica: 6 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -68.722366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.722366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.722366 (E_RNA) where: Base-Base interactions energy: -42.016 where: short stacking energy: -26.211 Base-Backbone interact. energy: -0.051 local terms energy: -26.655584 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -54.845888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.845888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.845888 (E_RNA) where: Base-Base interactions energy: -26.084 where: short stacking energy: -15.715 Base-Backbone interact. energy: -0.029 local terms energy: -28.732249 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -0.446 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: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -51.549593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.549593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.549593 (E_RNA) where: Base-Base interactions energy: -24.634 where: short stacking energy: -24.634 Base-Backbone interact. energy: -0.046 local terms energy: -26.869092 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -4.473 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: 7 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -51.730286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.730286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.730286 (E_RNA) where: Base-Base interactions energy: -29.967 where: short stacking energy: -29.967 Base-Backbone interact. energy: -0.008 local terms energy: -21.754883 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -2.197 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -4.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -49.701344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.701344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.701344 (E_RNA) where: Base-Base interactions energy: -22.229 where: short stacking energy: -22.229 Base-Backbone interact. energy: -0.013 local terms energy: -27.459483 where: bonds (distance) C4'-P energy: -6.426 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -109.929024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.929024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.929024 (E_RNA) where: Base-Base interactions energy: -70.880 where: short stacking energy: -36.494 Base-Backbone interact. energy: -0.216 local terms energy: -38.832764 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.798 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -8.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -106.875821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.875821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.875821 (E_RNA) where: Base-Base interactions energy: -72.609 where: short stacking energy: -35.123 Base-Backbone interact. energy: -0.152 local terms energy: -34.115205 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -8.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -113.885547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.885547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.885547 (E_RNA) where: Base-Base interactions energy: -83.083 where: short stacking energy: -34.650 Base-Backbone interact. energy: -0.010 local terms energy: -30.792271 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -4.085 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: 4, replica: 10 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -103.893413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.893413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.893413 (E_RNA) where: Base-Base interactions energy: -68.270 where: short stacking energy: -35.126 Base-Backbone interact. energy: -0.744 local terms energy: -34.878958 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -108.778388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.778388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.778388 (E_RNA) where: Base-Base interactions energy: -73.732 where: short stacking energy: -37.082 Base-Backbone interact. energy: 0.839 local terms energy: -35.885806 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -5.033 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -7.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -92.934370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.934370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.934370 (E_RNA) where: Base-Base interactions energy: -61.667 where: short stacking energy: -31.611 Base-Backbone interact. energy: -0.016 local terms energy: -31.251319 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: 0.958 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: 208 Temperature: 1.200000 Total energy: -51.310647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.310647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.310647 (E_RNA) where: Base-Base interactions energy: -27.282 where: short stacking energy: -27.982 Base-Backbone interact. energy: -0.003 local terms energy: -24.026131 where: bonds (distance) C4'-P energy: -2.404 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -55.302221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.302221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.302221 (E_RNA) where: Base-Base interactions energy: -24.021 where: short stacking energy: -24.021 Base-Backbone interact. energy: -0.000 local terms energy: -31.280890 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -6.473 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -8.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -57.982949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.982949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.982949 (E_RNA) where: Base-Base interactions energy: -27.816 where: short stacking energy: -27.816 Base-Backbone interact. energy: -0.011 local terms energy: -30.155858 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -52.470900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.470900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.470900 (E_RNA) where: Base-Base interactions energy: -19.716 where: short stacking energy: -19.716 Base-Backbone interact. energy: -0.012 local terms energy: -32.742888 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -3.603 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: 1, replica: 9 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -111.508549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.508549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.508549 (E_RNA) where: Base-Base interactions energy: -72.752 where: short stacking energy: -35.402 Base-Backbone interact. energy: -1.566 local terms energy: -37.190485 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -120.127439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.127439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.127439 (E_RNA) where: Base-Base interactions energy: -87.791 where: short stacking energy: -33.457 Base-Backbone interact. energy: -0.013 local terms energy: -32.323276 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -6.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -106.006060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.006060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.006060 (E_RNA) where: Base-Base interactions energy: -69.462 where: short stacking energy: -35.718 Base-Backbone interact. energy: -0.073 local terms energy: -36.471051 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -107.352307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.352307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.352307 (E_RNA) where: Base-Base interactions energy: -67.000 where: short stacking energy: -34.215 Base-Backbone interact. energy: -1.091 local terms energy: -39.261252 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -6.689 tors. eta vs tors. theta energy: -7.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -105.621575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.621575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.621575 (E_RNA) where: Base-Base interactions energy: -71.603 where: short stacking energy: -36.047 Base-Backbone interact. energy: 1.470 local terms energy: -35.488116 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -6.843 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: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -106.703906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.703906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.703906 (E_RNA) where: Base-Base interactions energy: -79.056 where: short stacking energy: -32.213 Base-Backbone interact. energy: -0.007 local terms energy: -27.640469 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -0.270 tors. eta vs tors. theta energy: -7.281 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: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -66.679373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.679373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.679373 (E_RNA) where: Base-Base interactions energy: -36.151 where: short stacking energy: -23.691 Base-Backbone interact. energy: -0.006 local terms energy: -30.522293 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -4.087 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: 1 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -70.295212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.295212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.295212 (E_RNA) where: Base-Base interactions energy: -45.566 where: short stacking energy: -17.194 Base-Backbone interact. energy: -0.026 local terms energy: -24.703964 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -2.993 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: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -63.263251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.263251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.263251 (E_RNA) where: Base-Base interactions energy: -32.300 where: short stacking energy: -32.300 Base-Backbone interact. energy: -0.058 local terms energy: -30.905061 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: 1.237 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: 10, replica: 7 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -49.314825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.314825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.314825 (E_RNA) where: Base-Base interactions energy: -19.905 where: short stacking energy: -19.905 Base-Backbone interact. energy: -0.023 local terms energy: -29.386747 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -3.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -118.112179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.112179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.112179 (E_RNA) where: Base-Base interactions energy: -85.707 where: short stacking energy: -35.061 Base-Backbone interact. energy: -0.002 local terms energy: -32.402595 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.287 flat angles P-C4'-P energy: 0.802 tors. eta vs tors. theta energy: -7.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -106.812446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.812446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.812446 (E_RNA) where: Base-Base interactions energy: -73.147 where: short stacking energy: -31.114 Base-Backbone interact. energy: -0.005 local terms energy: -33.660853 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.615 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -5.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -109.850448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.850448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.850448 (E_RNA) where: Base-Base interactions energy: -71.405 where: short stacking energy: -36.852 Base-Backbone interact. energy: -0.063 local terms energy: -38.382609 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.349 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -7.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -107.895217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.895217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.895217 (E_RNA) where: Base-Base interactions energy: -73.739 where: short stacking energy: -32.625 Base-Backbone interact. energy: 0.285 local terms energy: -34.440683 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -4.633 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: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -108.397586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.397586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.397586 (E_RNA) where: Base-Base interactions energy: -78.471 where: short stacking energy: -33.971 Base-Backbone interact. energy: -0.157 local terms energy: -29.769148 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -9.119 flat angles P-C4'-P energy: 0.092 tors. eta vs tors. theta energy: -6.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -93.010818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.010818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.010818 (E_RNA) where: Base-Base interactions energy: -60.364 where: short stacking energy: -28.403 Base-Backbone interact. energy: -0.231 local terms energy: -32.416479 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -48.540726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.540726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.540726 (E_RNA) where: Base-Base interactions energy: -27.102 where: short stacking energy: -22.778 Base-Backbone interact. energy: -0.025 local terms energy: -21.413807 where: bonds (distance) C4'-P energy: -2.499 bonds (distance) P-C4' energy: -7.477 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -61.535126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.535126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.535126 (E_RNA) where: Base-Base interactions energy: -32.031 where: short stacking energy: -18.982 Base-Backbone interact. energy: -0.085 local terms energy: -29.419732 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: 0.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -62.006555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.006555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.006555 (E_RNA) where: Base-Base interactions energy: -34.094 where: short stacking energy: -20.711 Base-Backbone interact. energy: -0.020 local terms energy: -27.892654 where: bonds (distance) C4'-P energy: -4.393 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -5.992 tors. eta vs tors. theta energy: -2.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -52.916669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.916669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.916669 (E_RNA) where: Base-Base interactions energy: -27.869 where: short stacking energy: -27.869 Base-Backbone interact. energy: -0.003 local terms energy: -25.044311 where: bonds (distance) C4'-P energy: -2.632 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -118.873231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.873231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.873231 (E_RNA) where: Base-Base interactions energy: -83.066 where: short stacking energy: -31.834 Base-Backbone interact. energy: -0.026 local terms energy: -35.780640 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -7.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -108.775511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.775511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.775511 (E_RNA) where: Base-Base interactions energy: -79.468 where: short stacking energy: -32.873 Base-Backbone interact. energy: -0.007 local terms energy: -29.300072 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -8.544 flat angles P-C4'-P energy: -0.749 tors. eta vs tors. theta energy: -6.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -106.429349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.429349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.429349 (E_RNA) where: Base-Base interactions energy: -70.133 where: short stacking energy: -36.450 Base-Backbone interact. energy: -0.016 local terms energy: -36.280978 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -8.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -103.138975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.138975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.138975 (E_RNA) where: Base-Base interactions energy: -72.733 where: short stacking energy: -34.263 Base-Backbone interact. energy: -0.070 local terms energy: -30.336487 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.633 flat angles P-C4'-P energy: -2.106 tors. eta vs tors. theta energy: -4.299 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: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -103.514078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.514078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.514078 (E_RNA) where: Base-Base interactions energy: -66.750 where: short stacking energy: -34.861 Base-Backbone interact. energy: -0.004 local terms energy: -36.759523 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -9.000 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -8.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -99.015945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.015945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.015945 (E_RNA) where: Base-Base interactions energy: -66.912 where: short stacking energy: -31.827 Base-Backbone interact. energy: -0.008 local terms energy: -32.096318 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.865 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -68.901399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.901399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.901399 (E_RNA) where: Base-Base interactions energy: -39.602 where: short stacking energy: -28.927 Base-Backbone interact. energy: -0.123 local terms energy: -29.176525 where: bonds (distance) C4'-P energy: -7.716 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -2.077 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: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -87.258008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.258008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.258008 (E_RNA) where: Base-Base interactions energy: -55.422 where: short stacking energy: -25.677 Base-Backbone interact. energy: -0.653 local terms energy: -31.183196 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -5.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -51.539012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.539012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.539012 (E_RNA) where: Base-Base interactions energy: -20.498 where: short stacking energy: -20.498 Base-Backbone interact. energy: -0.000 local terms energy: -31.041413 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -5.195 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: 10, replica: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -52.763618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.763618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.763618 (E_RNA) where: Base-Base interactions energy: -22.913 where: short stacking energy: -19.482 Base-Backbone interact. energy: -0.042 local terms energy: -29.808020 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -4.467 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: 1, replica: 2 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -119.687175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.687175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.687175 (E_RNA) where: Base-Base interactions energy: -88.037 where: short stacking energy: -33.495 Base-Backbone interact. energy: -0.035 local terms energy: -31.615168 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -1.401 tors. eta vs tors. theta energy: -6.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -110.085436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.085436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.085436 (E_RNA) where: Base-Base interactions energy: -75.034 where: short stacking energy: -36.991 Base-Backbone interact. energy: -1.670 local terms energy: -33.381394 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.297 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -6.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -112.979172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.979172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.979172 (E_RNA) where: Base-Base interactions energy: -86.628 where: short stacking energy: -33.947 Base-Backbone interact. energy: -0.001 local terms energy: -26.349912 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -7.385 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: 1.547 tors. eta vs tors. theta energy: -6.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -105.316923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.316923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.316923 (E_RNA) where: Base-Base interactions energy: -71.873 where: short stacking energy: -36.516 Base-Backbone interact. energy: -1.512 local terms energy: -31.931202 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -6.465 tors. eta vs tors. theta energy: -5.834 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: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -105.560575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.560575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.560575 (E_RNA) where: Base-Base interactions energy: -68.878 where: short stacking energy: -34.969 Base-Backbone interact. energy: -1.492 local terms energy: -35.190351 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -6.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -104.110589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.110589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.110589 (E_RNA) where: Base-Base interactions energy: -70.079 where: short stacking energy: -34.785 Base-Backbone interact. energy: -1.086 local terms energy: -32.945423 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -6.846 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: 212 Temperature: 1.200000 Total energy: -98.164398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.164398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.164398 (E_RNA) where: Base-Base interactions energy: -65.239 where: short stacking energy: -32.452 Base-Backbone interact. energy: -0.015 local terms energy: -32.910179 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -7.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -54.089705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.089705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.089705 (E_RNA) where: Base-Base interactions energy: -19.657 where: short stacking energy: -19.657 Base-Backbone interact. energy: -0.009 local terms energy: -34.422904 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -6.894 tors. eta vs tors. theta energy: -5.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -51.583082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.583082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.583082 (E_RNA) where: Base-Base interactions energy: -23.043 where: short stacking energy: -23.043 Base-Backbone interact. energy: -0.001 local terms energy: -28.539325 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -55.759776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.759776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.759776 (E_RNA) where: Base-Base interactions energy: -27.366 where: short stacking energy: -24.299 Base-Backbone interact. energy: -0.000 local terms energy: -28.393454 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -5.147 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -117.698569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.698569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.698569 (E_RNA) where: Base-Base interactions energy: -85.674 where: short stacking energy: -35.463 Base-Backbone interact. energy: -0.011 local terms energy: -32.013069 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -0.533 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: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -109.132972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.132972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.132972 (E_RNA) where: Base-Base interactions energy: -73.066 where: short stacking energy: -36.575 Base-Backbone interact. energy: -0.373 local terms energy: -35.694550 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -4.110 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: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -108.642706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.642706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.642706 (E_RNA) where: Base-Base interactions energy: -70.087 where: short stacking energy: -33.937 Base-Backbone interact. energy: -0.004 local terms energy: -38.551694 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -8.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -99.166359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.166359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.166359 (E_RNA) where: Base-Base interactions energy: -65.692 where: short stacking energy: -29.551 Base-Backbone interact. energy: -0.229 local terms energy: -33.245646 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -5.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -99.256430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.256430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.256430 (E_RNA) where: Base-Base interactions energy: -65.290 where: short stacking energy: -30.855 Base-Backbone interact. energy: 0.679 local terms energy: -34.645622 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -5.196 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -6.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -101.617991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.617991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.617991 (E_RNA) where: Base-Base interactions energy: -68.292 where: short stacking energy: -33.726 Base-Backbone interact. energy: 0.982 local terms energy: -34.307284 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -8.294 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -6.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -92.446291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.446291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.446291 (E_RNA) where: Base-Base interactions energy: -62.292 where: short stacking energy: -27.437 Base-Backbone interact. energy: -0.510 local terms energy: -29.643757 where: bonds (distance) C4'-P energy: -4.280 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -5.536 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: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -53.587067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.587067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.587067 (E_RNA) where: Base-Base interactions energy: -33.581 where: short stacking energy: -4.582 Base-Backbone interact. energy: 0.339 local terms energy: -20.344506 where: bonds (distance) C4'-P energy: -3.332 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: 0.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -54.454487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.454487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.454487 (E_RNA) where: Base-Base interactions energy: -21.727 where: short stacking energy: -21.727 Base-Backbone interact. energy: -0.099 local terms energy: -32.628320 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -3.538 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: 10, replica: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -58.550329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.550329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.550329 (E_RNA) where: Base-Base interactions energy: -27.157 where: short stacking energy: -27.157 Base-Backbone interact. energy: -0.003 local terms energy: -31.390421 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -2.643 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -8.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -110.795745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.795745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.795745 (E_RNA) where: Base-Base interactions energy: -70.644 where: short stacking energy: -35.537 Base-Backbone interact. energy: -0.477 local terms energy: -39.675019 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -7.872 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: 214 Temperature: 0.950000 Total energy: -117.768734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.768734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.768734 (E_RNA) where: Base-Base interactions energy: -86.044 where: short stacking energy: -36.922 Base-Backbone interact. energy: -0.011 local terms energy: -31.713006 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -6.478 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -2.740 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: 3, replica: 3 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -108.664071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.664071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.664071 (E_RNA) where: Base-Base interactions energy: -70.610 where: short stacking energy: -34.246 Base-Backbone interact. energy: -0.959 local terms energy: -37.094997 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -6.139 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: 4, replica: 6 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -96.734986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.734986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.734986 (E_RNA) where: Base-Base interactions energy: -62.950 where: short stacking energy: -30.282 Base-Backbone interact. energy: -0.022 local terms energy: -33.762698 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -2.094 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: 5, replica: 10 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -109.581864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.581864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.581864 (E_RNA) where: Base-Base interactions energy: -71.297 where: short stacking energy: -37.228 Base-Backbone interact. energy: -0.940 local terms energy: -37.344523 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -6.069 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: 6, replica: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -96.096308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.096308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.096308 (E_RNA) where: Base-Base interactions energy: -64.353 where: short stacking energy: -28.994 Base-Backbone interact. energy: -0.012 local terms energy: -31.731539 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -55.787290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.787290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.787290 (E_RNA) where: Base-Base interactions energy: -27.505 where: short stacking energy: -27.505 Base-Backbone interact. energy: -0.117 local terms energy: -28.164905 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -3.119 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: 8, replica: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -83.539542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.539542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.539542 (E_RNA) where: Base-Base interactions energy: -54.688 where: short stacking energy: -21.982 Base-Backbone interact. energy: -0.806 local terms energy: -28.046000 where: bonds (distance) C4'-P energy: -2.698 bonds (distance) P-C4' energy: -7.207 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -57.305551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.305551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.305551 (E_RNA) where: Base-Base interactions energy: -32.705 where: short stacking energy: -18.830 Base-Backbone interact. energy: 2.577 local terms energy: -27.177784 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -6.466 tors. eta vs tors. theta energy: -1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -48.733087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.733087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.733087 (E_RNA) where: Base-Base interactions energy: -14.116 where: short stacking energy: -13.844 Base-Backbone interact. energy: -0.757 local terms energy: -33.860189 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.875 flat angles P-C4'-P energy: -6.463 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: 1, replica: 9 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -110.394605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.394605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.394605 (E_RNA) where: Base-Base interactions energy: -74.152 where: short stacking energy: -36.751 Base-Backbone interact. energy: -1.008 local terms energy: -35.234623 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -7.355 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -6.533 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: 215 Temperature: 0.950000 Total energy: -108.979349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.979349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.979349 (E_RNA) where: Base-Base interactions energy: -70.510 where: short stacking energy: -33.922 Base-Backbone interact. energy: -0.777 local terms energy: -37.692188 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -113.273540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.273540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.273540 (E_RNA) where: Base-Base interactions energy: -83.469 where: short stacking energy: -35.602 Base-Backbone interact. energy: -0.267 local terms energy: -29.537030 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -1.794 tors. eta vs tors. theta energy: -5.099 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: 4, replica: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -99.772407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.772407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.772407 (E_RNA) where: Base-Base interactions energy: -64.010 where: short stacking energy: -28.413 Base-Backbone interact. energy: -0.221 local terms energy: -35.540594 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -4.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -90.671107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.671107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.671107 (E_RNA) where: Base-Base interactions energy: -57.387 where: short stacking energy: -26.303 Base-Backbone interact. energy: 0.475 local terms energy: -33.759763 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -91.348946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.348946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.348946 (E_RNA) where: Base-Base interactions energy: -62.541 where: short stacking energy: -27.620 Base-Backbone interact. energy: 0.457 local terms energy: -29.265083 where: bonds (distance) C4'-P energy: -4.312 bonds (distance) P-C4' energy: -6.809 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -5.880 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: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -59.168296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.168296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.168296 (E_RNA) where: Base-Base interactions energy: -31.664 where: short stacking energy: -31.664 Base-Backbone interact. energy: -0.030 local terms energy: -27.475108 where: bonds (distance) C4'-P energy: -2.711 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -5.748 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: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -49.364519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.364519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.364519 (E_RNA) where: Base-Base interactions energy: -26.268 where: short stacking energy: -26.268 Base-Backbone interact. energy: 1.800 local terms energy: -24.897226 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -5.911 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -88.047801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.047801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.047801 (E_RNA) where: Base-Base interactions energy: -56.640 where: short stacking energy: -22.427 Base-Backbone interact. energy: -0.591 local terms energy: -30.816144 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.874 flat angles P-C4'-P energy: -6.990 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -52.917958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.917958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.917958 (E_RNA) where: Base-Base interactions energy: -21.783 where: short stacking energy: -21.783 Base-Backbone interact. energy: -0.000 local terms energy: -31.134424 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -110.112923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.112923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.112923 (E_RNA) where: Base-Base interactions energy: -72.403 where: short stacking energy: -37.331 Base-Backbone interact. energy: -1.435 local terms energy: -36.275535 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -7.376 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -7.508 tors. eta vs tors. theta energy: -7.452 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: 2, replica: 9 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -104.290115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.290115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.290115 (E_RNA) where: Base-Base interactions energy: -66.728 where: short stacking energy: -32.834 Base-Backbone interact. energy: 0.041 local terms energy: -37.603264 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -7.194 tors. eta vs tors. theta energy: -7.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -114.652548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.652548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.652548 (E_RNA) where: Base-Base interactions energy: -84.627 where: short stacking energy: -37.153 Base-Backbone interact. energy: -0.043 local terms energy: -29.982765 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -106.076821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.076821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.076821 (E_RNA) where: Base-Base interactions energy: -68.916 where: short stacking energy: -35.372 Base-Backbone interact. energy: -1.150 local terms energy: -36.011661 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -2.549 flat angles P-C4'-P energy: -6.870 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: 5, replica: 5 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -104.436152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.436152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.436152 (E_RNA) where: Base-Base interactions energy: -68.147 where: short stacking energy: -32.534 Base-Backbone interact. energy: -1.017 local terms energy: -35.272044 where: bonds (distance) C4'-P energy: -6.396 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -6.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -90.676990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.676990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.676990 (E_RNA) where: Base-Base interactions energy: -60.390 where: short stacking energy: -28.137 Base-Backbone interact. energy: -0.750 local terms energy: -29.537328 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -3.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -72.351386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.351386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.351386 (E_RNA) where: Base-Base interactions energy: -41.342 where: short stacking energy: -31.208 Base-Backbone interact. energy: 0.105 local terms energy: -31.113904 where: bonds (distance) C4'-P energy: -5.654 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -5.924 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: 8, replica: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -56.477594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.477594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.477594 (E_RNA) where: Base-Base interactions energy: -27.129 where: short stacking energy: -27.129 Base-Backbone interact. energy: -0.001 local terms energy: -29.347518 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -5.070 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -5.710 tors. eta vs tors. theta energy: -3.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -57.367616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.367616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.367616 (E_RNA) where: Base-Base interactions energy: -24.206 where: short stacking energy: -24.206 Base-Backbone interact. energy: -0.001 local terms energy: -33.160802 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -4.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -61.758432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.758432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.758432 (E_RNA) where: Base-Base interactions energy: -28.166 where: short stacking energy: -24.316 Base-Backbone interact. energy: -0.033 local terms energy: -33.560107 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -4.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -111.632812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.632812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.632812 (E_RNA) where: Base-Base interactions energy: -71.442 where: short stacking energy: -36.407 Base-Backbone interact. energy: -1.697 local terms energy: -38.493703 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.997 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -9.093 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: 2 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -119.468629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.468629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.468629 (E_RNA) where: Base-Base interactions energy: -91.875 where: short stacking energy: -35.817 Base-Backbone interact. energy: -0.013 local terms energy: -27.580837 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -1.294 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: 3, replica: 9 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -103.675741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.675741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.675741 (E_RNA) where: Base-Base interactions energy: -69.980 where: short stacking energy: -29.794 Base-Backbone interact. energy: -0.043 local terms energy: -33.653098 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -0.811 tors. eta vs tors. theta energy: -8.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -102.972874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.972874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.972874 (E_RNA) where: Base-Base interactions energy: -70.389 where: short stacking energy: -33.799 Base-Backbone interact. energy: -0.628 local terms energy: -31.955718 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -6.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -104.785016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.785016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.785016 (E_RNA) where: Base-Base interactions energy: -70.456 where: short stacking energy: -33.888 Base-Backbone interact. energy: -0.011 local terms energy: -34.318078 where: bonds (distance) C4'-P energy: -4.898 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -96.481203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.481203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.481203 (E_RNA) where: Base-Base interactions energy: -64.960 where: short stacking energy: -30.047 Base-Backbone interact. energy: -0.493 local terms energy: -31.028291 where: bonds (distance) C4'-P energy: -3.617 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -5.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -58.055525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.055525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.055525 (E_RNA) where: Base-Base interactions energy: -29.840 where: short stacking energy: -29.840 Base-Backbone interact. energy: -0.077 local terms energy: -28.138499 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -6.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -50.619546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.619546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.619546 (E_RNA) where: Base-Base interactions energy: -21.408 where: short stacking energy: -21.708 Base-Backbone interact. energy: -0.171 local terms energy: -29.040159 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -0.482 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: 9, replica: 4 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -54.061774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.061774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.061774 (E_RNA) where: Base-Base interactions energy: -30.357 where: short stacking energy: -19.390 Base-Backbone interact. energy: -0.033 local terms energy: -23.671879 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -3.603 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: 10, replica: 1 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -49.508217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.508217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.508217 (E_RNA) where: Base-Base interactions energy: -20.359 where: short stacking energy: -20.359 Base-Backbone interact. energy: -0.056 local terms energy: -29.093359 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -119.466363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.466363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.466363 (E_RNA) where: Base-Base interactions energy: -87.587 where: short stacking energy: -37.136 Base-Backbone interact. energy: -0.001 local terms energy: -31.878154 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -0.582 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: 2, replica: 3 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -107.147376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.147376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.147376 (E_RNA) where: Base-Base interactions energy: -69.267 where: short stacking energy: -34.259 Base-Backbone interact. energy: -0.685 local terms energy: -37.195732 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -6.587 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: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -106.341244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.341244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.341244 (E_RNA) where: Base-Base interactions energy: -70.655 where: short stacking energy: -35.672 Base-Backbone interact. energy: -0.965 local terms energy: -34.721108 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -7.028 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: 4, replica: 9 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -101.433737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.433737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.433737 (E_RNA) where: Base-Base interactions energy: -67.333 where: short stacking energy: -33.322 Base-Backbone interact. energy: -2.035 local terms energy: -32.065767 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -6.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -104.660820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.660820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.660820 (E_RNA) where: Base-Base interactions energy: -70.860 where: short stacking energy: -33.524 Base-Backbone interact. energy: -0.010 local terms energy: -33.790636 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -5.143 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: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -102.110129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.110129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.110129 (E_RNA) where: Base-Base interactions energy: -67.525 where: short stacking energy: -32.708 Base-Backbone interact. energy: -0.912 local terms energy: -33.672390 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -5.161 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: 7, replica: 7 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -68.181378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.181378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.181378 (E_RNA) where: Base-Base interactions energy: -41.828 where: short stacking energy: -23.944 Base-Backbone interact. energy: 2.976 local terms energy: -29.329586 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -4.258 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: 8, replica: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -56.899018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.899018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.899018 (E_RNA) where: Base-Base interactions energy: -29.050 where: short stacking energy: -29.050 Base-Backbone interact. energy: -0.323 local terms energy: -27.525988 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -5.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -47.915838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.915838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.915838 (E_RNA) where: Base-Base interactions energy: -14.744 where: short stacking energy: -14.744 Base-Backbone interact. energy: -0.001 local terms energy: -33.171430 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -3.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -45.188076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.188076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.188076 (E_RNA) where: Base-Base interactions energy: -18.813 where: short stacking energy: -18.813 Base-Backbone interact. energy: -0.061 local terms energy: -26.313475 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -2.613 tors. eta vs tors. theta energy: -2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -119.131466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.131466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.131466 (E_RNA) where: Base-Base interactions energy: -87.880 where: short stacking energy: -35.573 Base-Backbone interact. energy: -0.004 local terms energy: -31.246523 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -2.597 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: 2, replica: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -107.563208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.563208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.563208 (E_RNA) where: Base-Base interactions energy: -73.648 where: short stacking energy: -37.269 Base-Backbone interact. energy: -0.879 local terms energy: -33.036078 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -7.014 tors. eta vs tors. theta energy: -6.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -100.609973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.609973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.609973 (E_RNA) where: Base-Base interactions energy: -66.570 where: short stacking energy: -29.802 Base-Backbone interact. energy: 0.595 local terms energy: -34.635313 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -8.522 flat angles P-C4'-P energy: -6.220 tors. eta vs tors. theta energy: -5.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -105.843679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.843679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.843679 (E_RNA) where: Base-Base interactions energy: -71.757 where: short stacking energy: -36.404 Base-Backbone interact. energy: -1.781 local terms energy: -32.305572 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -4.518 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -8.075 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: 9 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -105.065627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.065627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.065627 (E_RNA) where: Base-Base interactions energy: -70.976 where: short stacking energy: -35.310 Base-Backbone interact. energy: -0.930 local terms energy: -33.158937 where: bonds (distance) C4'-P energy: -8.126 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -6.950 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -98.762108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.762108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.762108 (E_RNA) where: Base-Base interactions energy: -67.959 where: short stacking energy: -33.111 Base-Backbone interact. energy: -0.355 local terms energy: -30.448278 where: bonds (distance) C4'-P energy: -4.347 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -5.793 tors. eta vs tors. theta energy: -4.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -58.841320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.841320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.841320 (E_RNA) where: Base-Base interactions energy: -24.467 where: short stacking energy: -24.467 Base-Backbone interact. energy: -0.002 local terms energy: -34.372770 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -6.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -53.559580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.559580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.559580 (E_RNA) where: Base-Base interactions energy: -28.249 where: short stacking energy: -28.249 Base-Backbone interact. energy: -0.000 local terms energy: -25.310571 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -0.837 tors. eta vs tors. theta energy: -3.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -56.707496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.707496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.707496 (E_RNA) where: Base-Base interactions energy: -28.050 where: short stacking energy: -24.221 Base-Backbone interact. energy: -0.003 local terms energy: -28.654170 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -53.828523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.828523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.828523 (E_RNA) where: Base-Base interactions energy: -24.149 where: short stacking energy: -24.149 Base-Backbone interact. energy: -0.000 local terms energy: -29.679585 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -1.473 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: 1, replica: 2 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -111.815433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.815433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.815433 (E_RNA) where: Base-Base interactions energy: -80.610 where: short stacking energy: -29.515 Base-Backbone interact. energy: -0.130 local terms energy: -31.074839 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -4.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -97.751207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.751207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.751207 (E_RNA) where: Base-Base interactions energy: -66.764 where: short stacking energy: -23.201 Base-Backbone interact. energy: -0.000 local terms energy: -30.986709 where: bonds (distance) C4'-P energy: -6.383 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -107.115651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.115651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.115651 (E_RNA) where: Base-Base interactions energy: -70.880 where: short stacking energy: -37.111 Base-Backbone interact. energy: -1.977 local terms energy: -34.259142 where: bonds (distance) C4'-P energy: -5.175 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -7.492 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: 220 Temperature: 1.050000 Total energy: -99.748349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.748349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.748349 (E_RNA) where: Base-Base interactions energy: -68.171 where: short stacking energy: -27.828 Base-Backbone interact. energy: -0.005 local terms energy: -31.572351 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -5.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -102.318173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.318173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.318173 (E_RNA) where: Base-Base interactions energy: -65.679 where: short stacking energy: -33.137 Base-Backbone interact. energy: -0.692 local terms energy: -35.946892 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -7.029 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: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -86.680227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.680227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.680227 (E_RNA) where: Base-Base interactions energy: -58.610 where: short stacking energy: -24.894 Base-Backbone interact. energy: 0.524 local terms energy: -28.593788 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -5.876 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -1.365 tors. eta vs tors. theta energy: -5.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -57.580781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.580781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.580781 (E_RNA) where: Base-Base interactions energy: -30.328 where: short stacking energy: -20.840 Base-Backbone interact. energy: -0.014 local terms energy: -27.238663 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.925 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -5.009 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: 8, replica: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -67.621605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.621605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.621605 (E_RNA) where: Base-Base interactions energy: -37.954 where: short stacking energy: -37.954 Base-Backbone interact. energy: -0.000 local terms energy: -29.667083 where: bonds (distance) C4'-P energy: -6.353 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -8.308 flat angles P-C4'-P energy: -0.132 tors. eta vs tors. theta energy: -8.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -58.653477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.653477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.653477 (E_RNA) where: Base-Base interactions energy: -25.935 where: short stacking energy: -25.935 Base-Backbone interact. energy: -0.024 local terms energy: -32.695308 where: bonds (distance) C4'-P energy: -4.640 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -6.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -47.458959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.458959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.458959 (E_RNA) where: Base-Base interactions energy: -17.642 where: short stacking energy: -17.642 Base-Backbone interact. energy: -0.032 local terms energy: -29.785484 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -110.694991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.694991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.694991 (E_RNA) where: Base-Base interactions energy: -78.778 where: short stacking energy: -29.181 Base-Backbone interact. energy: -0.210 local terms energy: -31.707315 where: bonds (distance) C4'-P energy: -5.779 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -2.368 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: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -119.456882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.456882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.456882 (E_RNA) where: Base-Base interactions energy: -90.332 where: short stacking energy: -37.478 Base-Backbone interact. energy: -0.006 local terms energy: -29.119706 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.318 flat angles P-C4'-P energy: -1.017 tors. eta vs tors. theta energy: -6.620 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: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -105.489132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.489132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.489132 (E_RNA) where: Base-Base interactions energy: -74.125 where: short stacking energy: -30.691 Base-Backbone interact. energy: -0.006 local terms energy: -31.358375 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -1.073 tors. eta vs tors. theta energy: -7.223 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: 9 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -107.654519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.654519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.654519 (E_RNA) where: Base-Base interactions energy: -79.145 where: short stacking energy: -32.032 Base-Backbone interact. energy: -0.033 local terms energy: -28.476903 where: bonds (distance) C4'-P energy: -3.495 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -0.448 tors. eta vs tors. theta energy: -6.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -105.924063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.924063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.924063 (E_RNA) where: Base-Base interactions energy: -75.884 where: short stacking energy: -32.572 Base-Backbone interact. energy: -0.047 local terms energy: -29.993302 where: bonds (distance) C4'-P energy: -5.158 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -1.599 tors. eta vs tors. theta energy: -7.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -83.168696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.168696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.168696 (E_RNA) where: Base-Base interactions energy: -55.792 where: short stacking energy: -25.386 Base-Backbone interact. energy: -0.100 local terms energy: -27.276057 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: 0.134 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -54.706474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.706474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.706474 (E_RNA) where: Base-Base interactions energy: -22.583 where: short stacking energy: -18.538 Base-Backbone interact. energy: -0.005 local terms energy: -32.118671 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -9.831 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -5.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -60.743150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.743150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.743150 (E_RNA) where: Base-Base interactions energy: -31.251 where: short stacking energy: -21.616 Base-Backbone interact. energy: -0.041 local terms energy: -29.450783 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.787 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -73.926616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.926616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.926616 (E_RNA) where: Base-Base interactions energy: -48.298 where: short stacking energy: -27.309 Base-Backbone interact. energy: -0.218 local terms energy: -25.410852 where: bonds (distance) C4'-P energy: -2.749 bonds (distance) P-C4' energy: -7.863 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -2.252 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: 10, replica: 8 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -54.594503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.594503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.594503 (E_RNA) where: Base-Base interactions energy: -26.742 where: short stacking energy: -24.995 Base-Backbone interact. energy: -0.001 local terms energy: -27.851650 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -5.449 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: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -115.811253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.811253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.811253 (E_RNA) where: Base-Base interactions energy: -85.799 where: short stacking energy: -34.364 Base-Backbone interact. energy: 0.059 local terms energy: -30.070883 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -2.194 tors. eta vs tors. theta energy: -8.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -113.315522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.315522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.315522 (E_RNA) where: Base-Base interactions energy: -83.714 where: short stacking energy: -36.235 Base-Backbone interact. energy: -0.045 local terms energy: -29.556452 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: 0.093 tors. eta vs tors. theta energy: -7.908 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: 3, replica: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -102.116762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.116762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.116762 (E_RNA) where: Base-Base interactions energy: -66.636 where: short stacking energy: -34.033 Base-Backbone interact. energy: -0.253 local terms energy: -35.227244 where: bonds (distance) C4'-P energy: -7.737 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -7.049 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: 5 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -107.648160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.648160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.648160 (E_RNA) where: Base-Base interactions energy: -73.685 where: short stacking energy: -32.942 Base-Backbone interact. energy: -0.584 local terms energy: -33.379039 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.334 flat angles P-C4'-P energy: -2.667 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: 5, replica: 3 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -108.606358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.606358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.606358 (E_RNA) where: Base-Base interactions energy: -79.304 where: short stacking energy: -32.251 Base-Backbone interact. energy: -0.005 local terms energy: -29.297534 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -1.790 tors. eta vs tors. theta energy: -5.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -74.674693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.674693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.674693 (E_RNA) where: Base-Base interactions energy: -51.076 where: short stacking energy: -26.887 Base-Backbone interact. energy: -0.017 local terms energy: -23.581441 where: bonds (distance) C4'-P energy: -6.463 bonds (distance) P-C4' energy: -4.384 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -4.725 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: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -84.141456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.141456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.141456 (E_RNA) where: Base-Base interactions energy: -54.477 where: short stacking energy: -28.785 Base-Backbone interact. energy: -0.003 local terms energy: -29.661691 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -7.255 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: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -59.820732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.820732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.820732 (E_RNA) where: Base-Base interactions energy: -30.864 where: short stacking energy: -21.788 Base-Backbone interact. energy: -0.085 local terms energy: -28.871860 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -4.420 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: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -67.313788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.313788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.313788 (E_RNA) where: Base-Base interactions energy: -29.774 where: short stacking energy: -29.774 Base-Backbone interact. energy: -0.000 local terms energy: -37.539810 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -6.354 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -6.538 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: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -52.136760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.136760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.136760 (E_RNA) where: Base-Base interactions energy: -16.744 where: short stacking energy: -16.744 Base-Backbone interact. energy: -0.000 local terms energy: -35.392597 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -5.992 tors. eta vs tors. theta energy: -4.397 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: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -116.450962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.450962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.450962 (E_RNA) where: Base-Base interactions energy: -86.347 where: short stacking energy: -32.898 Base-Backbone interact. energy: -0.140 local terms energy: -29.964632 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -0.218 tors. eta vs tors. theta energy: -5.782 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: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -106.561415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.561415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.561415 (E_RNA) where: Base-Base interactions energy: -72.970 where: short stacking energy: -36.049 Base-Backbone interact. energy: -0.002 local terms energy: -33.588775 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -5.596 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: 3, replica: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -104.957104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.957104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.957104 (E_RNA) where: Base-Base interactions energy: -70.260 where: short stacking energy: -33.242 Base-Backbone interact. energy: -0.001 local terms energy: -34.696200 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -6.588 flat angles C4'-P-C4' energy: -8.738 flat angles P-C4'-P energy: -7.214 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -103.683187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.683187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.683187 (E_RNA) where: Base-Base interactions energy: -70.565 where: short stacking energy: -30.402 Base-Backbone interact. energy: -0.170 local terms energy: -32.948548 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -3.159 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: 5, replica: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -103.103121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.103121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.103121 (E_RNA) where: Base-Base interactions energy: -68.060 where: short stacking energy: -34.492 Base-Backbone interact. energy: -1.648 local terms energy: -33.395741 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -8.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -78.817171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.817171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.817171 (E_RNA) where: Base-Base interactions energy: -49.631 where: short stacking energy: -21.923 Base-Backbone interact. energy: -0.334 local terms energy: -28.852636 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -6.745 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -1.428 tors. eta vs tors. theta energy: -4.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -73.997146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.997146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.997146 (E_RNA) where: Base-Base interactions energy: -47.116 where: short stacking energy: -31.089 Base-Backbone interact. energy: -0.014 local terms energy: -26.867178 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -2.309 flat angles C4'-P-C4' energy: -3.275 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -6.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -57.600421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.600421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.600421 (E_RNA) where: Base-Base interactions energy: -30.566 where: short stacking energy: -25.955 Base-Backbone interact. energy: -0.001 local terms energy: -27.033427 where: bonds (distance) C4'-P energy: -0.977 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -4.531 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: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -54.544212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.544212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.544212 (E_RNA) where: Base-Base interactions energy: -25.771 where: short stacking energy: -25.771 Base-Backbone interact. energy: -0.089 local terms energy: -28.684110 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -48.743422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.743422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.743422 (E_RNA) where: Base-Base interactions energy: -29.249 where: short stacking energy: -9.362 Base-Backbone interact. energy: -0.168 local terms energy: -19.326135 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: 1.933 tors. eta vs tors. theta energy: 1.459 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: 224 Temperature: 0.900000 Total energy: -103.847088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.847088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.847088 (E_RNA) where: Base-Base interactions energy: -70.751 where: short stacking energy: -31.900 Base-Backbone interact. energy: -0.058 local terms energy: -33.037576 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.315 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -1.251 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: 2, replica: 6 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -108.527259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.527259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.527259 (E_RNA) where: Base-Base interactions energy: -75.507 where: short stacking energy: -29.680 Base-Backbone interact. energy: -0.106 local terms energy: -32.914833 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -7.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -105.895656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.895656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.895656 (E_RNA) where: Base-Base interactions energy: -71.743 where: short stacking energy: -37.113 Base-Backbone interact. energy: -0.003 local terms energy: -34.149104 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -6.744 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -9.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -102.211350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.211350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.211350 (E_RNA) where: Base-Base interactions energy: -69.465 where: short stacking energy: -31.701 Base-Backbone interact. energy: -0.219 local terms energy: -32.526792 where: bonds (distance) C4'-P energy: -3.398 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -5.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -61.232270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.232270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.232270 (E_RNA) where: Base-Base interactions energy: -33.049 where: short stacking energy: -3.873 Base-Backbone interact. energy: -0.176 local terms energy: -28.007623 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -2.853 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: 6, replica: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -103.059046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.059046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.059046 (E_RNA) where: Base-Base interactions energy: -67.158 where: short stacking energy: -32.696 Base-Backbone interact. energy: -1.072 local terms energy: -34.828682 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -6.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -64.180754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.180754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.180754 (E_RNA) where: Base-Base interactions energy: -32.609 where: short stacking energy: -32.609 Base-Backbone interact. energy: -0.000 local terms energy: -31.571098 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -3.595 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -7.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -49.859554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.859554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.859554 (E_RNA) where: Base-Base interactions energy: -22.944 where: short stacking energy: -22.944 Base-Backbone interact. energy: -0.101 local terms energy: -26.814659 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -59.742015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.742015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.742015 (E_RNA) where: Base-Base interactions energy: -32.975 where: short stacking energy: -24.665 Base-Backbone interact. energy: -0.274 local terms energy: -26.493014 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -65.215148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.215148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.215148 (E_RNA) where: Base-Base interactions energy: -40.366 where: short stacking energy: -13.308 Base-Backbone interact. energy: -0.818 local terms energy: -24.030531 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: 1.879 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: 1, replica: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -99.622146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.622146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.622146 (E_RNA) where: Base-Base interactions energy: -65.971 where: short stacking energy: -30.928 Base-Backbone interact. energy: -0.030 local terms energy: -33.621666 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -108.611688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.611688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.611688 (E_RNA) where: Base-Base interactions energy: -69.130 where: short stacking energy: -34.957 Base-Backbone interact. energy: -0.004 local terms energy: -39.478195 where: bonds (distance) C4'-P energy: -8.122 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -7.935 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: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -106.601135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.601135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.601135 (E_RNA) where: Base-Base interactions energy: -68.846 where: short stacking energy: -33.566 Base-Backbone interact. energy: -0.249 local terms energy: -37.505445 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -7.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -104.958036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.958036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.958036 (E_RNA) where: Base-Base interactions energy: -79.531 where: short stacking energy: -32.078 Base-Backbone interact. energy: -0.026 local terms energy: -25.401170 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: 1.483 tors. eta vs tors. theta energy: -7.618 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: 10 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -65.747565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.747565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.747565 (E_RNA) where: Base-Base interactions energy: -37.367 where: short stacking energy: -22.654 Base-Backbone interact. energy: -0.525 local terms energy: -27.855583 where: bonds (distance) C4'-P energy: -5.762 bonds (distance) P-C4' energy: -7.658 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -4.056 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: 6, replica: 3 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -103.782611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.782611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.782611 (E_RNA) where: Base-Base interactions energy: -65.311 where: short stacking energy: -29.868 Base-Backbone interact. energy: -0.381 local terms energy: -38.090970 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -7.281 tors. eta vs tors. theta energy: -6.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -65.484149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.484149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.484149 (E_RNA) where: Base-Base interactions energy: -35.339 where: short stacking energy: -35.339 Base-Backbone interact. energy: -0.000 local terms energy: -30.144655 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: 0.666 tors. eta vs tors. theta energy: -7.081 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: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -47.084422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.084422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.084422 (E_RNA) where: Base-Base interactions energy: -22.842 where: short stacking energy: -18.594 Base-Backbone interact. energy: -0.018 local terms energy: -24.224047 where: bonds (distance) C4'-P energy: -5.676 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -1.941 tors. eta vs tors. theta energy: -2.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -56.865461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.865461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.865461 (E_RNA) where: Base-Base interactions energy: -28.004 where: short stacking energy: -28.004 Base-Backbone interact. energy: -0.023 local terms energy: -28.838375 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -55.866177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.866177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.866177 (E_RNA) where: Base-Base interactions energy: -26.830 where: short stacking energy: -26.830 Base-Backbone interact. energy: -0.121 local terms energy: -28.915841 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -6.028 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -108.411106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.411106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.411106 (E_RNA) where: Base-Base interactions energy: -73.674 where: short stacking energy: -36.692 Base-Backbone interact. energy: -0.319 local terms energy: -34.417470 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -6.515 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: 226 Temperature: 0.950000 Total energy: -110.382839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.382839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.382839 (E_RNA) where: Base-Base interactions energy: -72.219 where: short stacking energy: -36.150 Base-Backbone interact. energy: -1.505 local terms energy: -36.658644 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -6.399 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: 3, replica: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -104.240662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.240662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.240662 (E_RNA) where: Base-Base interactions energy: -68.147 where: short stacking energy: -34.235 Base-Backbone interact. energy: -0.003 local terms energy: -36.089956 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -5.245 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: 4, replica: 6 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -106.316396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.316396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.316396 (E_RNA) where: Base-Base interactions energy: -70.686 where: short stacking energy: -36.478 Base-Backbone interact. energy: -0.249 local terms energy: -35.381511 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -7.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -99.781842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.781842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.781842 (E_RNA) where: Base-Base interactions energy: -65.161 where: short stacking energy: -34.371 Base-Backbone interact. energy: -0.000 local terms energy: -34.621061 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -7.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -67.208654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.208654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.208654 (E_RNA) where: Base-Base interactions energy: -33.493 where: short stacking energy: -33.493 Base-Backbone interact. energy: -0.000 local terms energy: -33.716024 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -3.332 tors. eta vs tors. theta energy: -6.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -58.859606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.859606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.859606 (E_RNA) where: Base-Base interactions energy: -27.604 where: short stacking energy: -23.318 Base-Backbone interact. energy: 0.317 local terms energy: -31.572460 where: bonds (distance) C4'-P energy: -3.829 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -7.300 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -55.419434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.419434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.419434 (E_RNA) where: Base-Base interactions energy: -25.413 where: short stacking energy: -25.413 Base-Backbone interact. energy: -0.000 local terms energy: -30.006500 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -4.206 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: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -45.608662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.608662 (E_RNA) where: Base-Base interactions energy: -18.360 where: short stacking energy: -18.360 Base-Backbone interact. energy: 0.124 local terms energy: -27.372660 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -1.553 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: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -57.474801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.474801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.474801 (E_RNA) where: Base-Base interactions energy: -28.775 where: short stacking energy: -28.341 Base-Backbone interact. energy: -0.000 local terms energy: -28.699553 where: bonds (distance) C4'-P energy: -1.717 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -7.933 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: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -110.484275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.484275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.484275 (E_RNA) where: Base-Base interactions energy: -75.392 where: short stacking energy: -38.285 Base-Backbone interact. energy: -1.912 local terms energy: -33.180667 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.284 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -5.837 tors. eta vs tors. theta energy: -7.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -108.433277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.433277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.433277 (E_RNA) where: Base-Base interactions energy: -73.868 where: short stacking energy: -32.148 Base-Backbone interact. energy: -0.007 local terms energy: -34.557790 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -1.137 tors. eta vs tors. theta energy: -8.132 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: 2 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -108.277239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.277239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.277239 (E_RNA) where: Base-Base interactions energy: -79.933 where: short stacking energy: -34.397 Base-Backbone interact. energy: -0.004 local terms energy: -28.339863 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -5.218 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -0.296 tors. eta vs tors. theta energy: -6.358 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: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -103.809441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.809441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.809441 (E_RNA) where: Base-Base interactions energy: -71.690 where: short stacking energy: -36.243 Base-Backbone interact. energy: -0.058 local terms energy: -32.061462 where: bonds (distance) C4'-P energy: -3.183 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -7.282 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: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -104.324358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.324358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.324358 (E_RNA) where: Base-Base interactions energy: -68.042 where: short stacking energy: -33.570 Base-Backbone interact. energy: -1.153 local terms energy: -35.129223 where: bonds (distance) C4'-P energy: -6.207 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -4.786 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: 10 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -75.452607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.452607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.452607 (E_RNA) where: Base-Base interactions energy: -36.937 where: short stacking energy: -36.937 Base-Backbone interact. energy: -0.036 local terms energy: -38.479426 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -7.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -61.266717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.266717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.266717 (E_RNA) where: Base-Base interactions energy: -27.640 where: short stacking energy: -24.770 Base-Backbone interact. energy: -0.000 local terms energy: -33.626502 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -5.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -54.676642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.676642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.676642 (E_RNA) where: Base-Base interactions energy: -26.134 where: short stacking energy: -14.033 Base-Backbone interact. energy: -0.140 local terms energy: -28.403463 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -5.811 tors. eta vs tors. theta energy: 0.650 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: 4 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -51.216336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.216336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.216336 (E_RNA) where: Base-Base interactions energy: -29.856 where: short stacking energy: -29.856 Base-Backbone interact. energy: -0.075 local terms energy: -21.285739 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -6.318 flat angles C4'-P-C4' energy: -0.643 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -48.521262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.521262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.521262 (E_RNA) where: Base-Base interactions energy: -17.852 where: short stacking energy: -17.852 Base-Backbone interact. energy: -0.005 local terms energy: -30.664038 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -5.748 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: 9 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -111.817568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.817568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.817568 (E_RNA) where: Base-Base interactions energy: -73.202 where: short stacking energy: -36.909 Base-Backbone interact. energy: -1.291 local terms energy: -37.324429 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -7.760 flat angles P-C4'-P energy: -6.277 tors. eta vs tors. theta energy: -7.410 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: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -108.394593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.394593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.394593 (E_RNA) where: Base-Base interactions energy: -71.554 where: short stacking energy: -36.047 Base-Backbone interact. energy: -0.675 local terms energy: -36.165602 where: bonds (distance) C4'-P energy: -5.790 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -9.042 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: 228 Temperature: 1.000000 Total energy: -111.863200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.863200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.863200 (E_RNA) where: Base-Base interactions energy: -74.452 where: short stacking energy: -37.915 Base-Backbone interact. energy: -0.708 local terms energy: -36.702299 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -7.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -101.420388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.420388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.420388 (E_RNA) where: Base-Base interactions energy: -65.105 where: short stacking energy: -35.543 Base-Backbone interact. energy: -0.115 local terms energy: -36.200381 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -6.124 tors. eta vs tors. theta energy: -7.771 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: 5, replica: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -104.561831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.561831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.561831 (E_RNA) where: Base-Base interactions energy: -74.309 where: short stacking energy: -30.597 Base-Backbone interact. energy: -1.016 local terms energy: -29.236773 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -7.008 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -66.850109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.850109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.850109 (E_RNA) where: Base-Base interactions energy: -39.942 where: short stacking energy: -29.499 Base-Backbone interact. energy: -0.087 local terms energy: -26.820847 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -2.381 tors. eta vs tors. theta energy: -3.092 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: 7 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -64.516087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.516087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.516087 (E_RNA) where: Base-Base interactions energy: -30.353 where: short stacking energy: -30.353 Base-Backbone interact. energy: -0.001 local terms energy: -34.161725 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -9.187 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -62.811316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.811316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.811316 (E_RNA) where: Base-Base interactions energy: -41.209 where: short stacking energy: -22.443 Base-Backbone interact. energy: 3.530 local terms energy: -25.131530 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -3.556 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: 9, replica: 8 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -50.296029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.296029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.296029 (E_RNA) where: Base-Base interactions energy: -18.408 where: short stacking energy: -18.408 Base-Backbone interact. energy: -0.004 local terms energy: -31.883439 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -4.406 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: 10, replica: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -53.871257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.871257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.871257 (E_RNA) where: Base-Base interactions energy: -25.103 where: short stacking energy: -25.103 Base-Backbone interact. energy: -0.011 local terms energy: -28.757248 where: bonds (distance) C4'-P energy: -6.529 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.870 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: 9 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -112.185588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.185588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.185588 (E_RNA) where: Base-Base interactions energy: -72.833 where: short stacking energy: -36.359 Base-Backbone interact. energy: -1.380 local terms energy: -37.972522 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -9.116 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: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -109.047287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.047287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.047287 (E_RNA) where: Base-Base interactions energy: -73.367 where: short stacking energy: -36.865 Base-Backbone interact. energy: 0.239 local terms energy: -35.919596 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -5.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -105.312126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.312126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.312126 (E_RNA) where: Base-Base interactions energy: -71.111 where: short stacking energy: -36.947 Base-Backbone interact. energy: -0.800 local terms energy: -33.401606 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -7.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -104.076535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.076535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.076535 (E_RNA) where: Base-Base interactions energy: -67.294 where: short stacking energy: -32.632 Base-Backbone interact. energy: -1.387 local terms energy: -35.394966 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -9.307 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -6.608 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: 5, replica: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -97.809028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.809028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.809028 (E_RNA) where: Base-Base interactions energy: -64.746 where: short stacking energy: -28.535 Base-Backbone interact. energy: -0.002 local terms energy: -33.061480 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -5.574 tors. eta vs tors. theta energy: -4.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -94.110623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.110623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.110623 (E_RNA) where: Base-Base interactions energy: -62.081 where: short stacking energy: -28.093 Base-Backbone interact. energy: -0.970 local terms energy: -31.059101 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -53.761624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.761624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.761624 (E_RNA) where: Base-Base interactions energy: -27.172 where: short stacking energy: -27.172 Base-Backbone interact. energy: -0.269 local terms energy: -26.321156 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -65.054370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.054370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.054370 (E_RNA) where: Base-Base interactions energy: -36.354 where: short stacking energy: -16.407 Base-Backbone interact. energy: -0.485 local terms energy: -28.215724 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -54.805531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.805531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.805531 (E_RNA) where: Base-Base interactions energy: -24.218 where: short stacking energy: -24.218 Base-Backbone interact. energy: 1.340 local terms energy: -31.927944 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -1.023 tors. eta vs tors. theta energy: -6.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -49.062871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.062871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.062871 (E_RNA) where: Base-Base interactions energy: -17.393 where: short stacking energy: -14.229 Base-Backbone interact. energy: -0.003 local terms energy: -31.667559 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -111.345097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.345097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.345097 (E_RNA) where: Base-Base interactions energy: -72.632 where: short stacking energy: -35.986 Base-Backbone interact. energy: -1.445 local terms energy: -37.267851 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -7.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -109.664250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.664250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.664250 (E_RNA) where: Base-Base interactions energy: -73.836 where: short stacking energy: -36.316 Base-Backbone interact. energy: -0.297 local terms energy: -35.531968 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -5.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -108.075038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.075038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.075038 (E_RNA) where: Base-Base interactions energy: -71.422 where: short stacking energy: -33.793 Base-Backbone interact. energy: -0.989 local terms energy: -35.663462 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -6.278 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: 4, replica: 5 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -102.703438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.703438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.703438 (E_RNA) where: Base-Base interactions energy: -69.241 where: short stacking energy: -35.481 Base-Backbone interact. energy: -0.225 local terms energy: -33.236875 where: bonds (distance) C4'-P energy: -8.069 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -100.876580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.876580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.876580 (E_RNA) where: Base-Base interactions energy: -65.997 where: short stacking energy: -30.690 Base-Backbone interact. energy: -1.175 local terms energy: -33.704216 where: bonds (distance) C4'-P energy: -6.785 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -6.925 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: 6, replica: 6 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -97.382983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.382983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.382983 (E_RNA) where: Base-Base interactions energy: -62.898 where: short stacking energy: -29.383 Base-Backbone interact. energy: -1.591 local terms energy: -32.893878 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -6.858 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: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -76.853541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.853541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.853541 (E_RNA) where: Base-Base interactions energy: -45.760 where: short stacking energy: -28.709 Base-Backbone interact. energy: -0.017 local terms energy: -31.075836 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -8.914 flat angles P-C4'-P energy: -6.185 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: 10 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -62.403932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.403932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.403932 (E_RNA) where: Base-Base interactions energy: -33.271 where: short stacking energy: -27.906 Base-Backbone interact. energy: -0.002 local terms energy: -29.131275 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -2.155 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -6.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -52.353318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.353318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.353318 (E_RNA) where: Base-Base interactions energy: -22.529 where: short stacking energy: -22.529 Base-Backbone interact. energy: -0.102 local terms energy: -29.722437 where: bonds (distance) C4'-P energy: -4.798 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -49.149916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.149916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.149916 (E_RNA) where: Base-Base interactions energy: -21.067 where: short stacking energy: -21.067 Base-Backbone interact. energy: -0.066 local terms energy: -28.016609 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.553 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -107.897605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.897605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.897605 (E_RNA) where: Base-Base interactions energy: -70.745 where: short stacking energy: -36.413 Base-Backbone interact. energy: -0.724 local terms energy: -36.428690 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.265 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -7.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -110.830581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.830581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.830581 (E_RNA) where: Base-Base interactions energy: -71.509 where: short stacking energy: -37.689 Base-Backbone interact. energy: -1.589 local terms energy: -37.732348 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -6.229 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: 9 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -106.532120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.532120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.532120 (E_RNA) where: Base-Base interactions energy: -68.887 where: short stacking energy: -34.104 Base-Backbone interact. energy: -0.136 local terms energy: -37.508746 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -6.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -106.299220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.299220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.299220 (E_RNA) where: Base-Base interactions energy: -72.113 where: short stacking energy: -36.363 Base-Backbone interact. energy: -0.909 local terms energy: -33.277307 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: -6.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -104.153163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.153163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.153163 (E_RNA) where: Base-Base interactions energy: -70.031 where: short stacking energy: -33.213 Base-Backbone interact. energy: 0.508 local terms energy: -34.630230 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.793 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -101.810442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.810442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.810442 (E_RNA) where: Base-Base interactions energy: -67.988 where: short stacking energy: -34.342 Base-Backbone interact. energy: -1.055 local terms energy: -32.767387 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -5.287 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: 7, replica: 8 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -66.023989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.023989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.023989 (E_RNA) where: Base-Base interactions energy: -33.505 where: short stacking energy: -33.505 Base-Backbone interact. energy: -0.046 local terms energy: -32.473430 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -7.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -55.878388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.878388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.878388 (E_RNA) where: Base-Base interactions energy: -24.432 where: short stacking energy: -24.432 Base-Backbone interact. energy: -0.000 local terms energy: -31.446089 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -8.013 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -6.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -63.137671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.137671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.137671 (E_RNA) where: Base-Base interactions energy: -39.850 where: short stacking energy: -17.167 Base-Backbone interact. energy: -0.022 local terms energy: -23.265397 where: bonds (distance) C4'-P energy: -5.536 bonds (distance) P-C4' energy: -7.098 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -1.725 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: 1 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -55.611273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.611273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.611273 (E_RNA) where: Base-Base interactions energy: -30.247 where: short stacking energy: -15.254 Base-Backbone interact. energy: 0.278 local terms energy: -25.642871 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -5.974 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: 1, replica: 2 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -106.926107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.926107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.926107 (E_RNA) where: Base-Base interactions energy: -73.147 where: short stacking energy: -37.091 Base-Backbone interact. energy: -0.187 local terms energy: -33.592668 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -8.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -108.219193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.219193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.219193 (E_RNA) where: Base-Base interactions energy: -71.683 where: short stacking energy: -36.287 Base-Backbone interact. energy: -1.544 local terms energy: -34.992687 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -5.344 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: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -107.879749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.879749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.879749 (E_RNA) where: Base-Base interactions energy: -72.979 where: short stacking energy: -31.687 Base-Backbone interact. energy: -0.518 local terms energy: -34.382682 where: bonds (distance) C4'-P energy: -8.300 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -1.489 tors. eta vs tors. theta energy: -9.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -103.636529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.636529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.636529 (E_RNA) where: Base-Base interactions energy: -68.428 where: short stacking energy: -34.211 Base-Backbone interact. energy: -0.007 local terms energy: -35.201087 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -8.701 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -8.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -100.824848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.824848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.824848 (E_RNA) where: Base-Base interactions energy: -70.356 where: short stacking energy: -34.301 Base-Backbone interact. energy: -1.876 local terms energy: -28.592879 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -5.665 flat angles C4'-P-C4' energy: -4.778 flat angles P-C4'-P energy: -4.369 tors. eta vs tors. theta energy: -7.373 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: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -103.627463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.627463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.627463 (E_RNA) where: Base-Base interactions energy: -70.636 where: short stacking energy: -34.685 Base-Backbone interact. energy: -0.078 local terms energy: -32.913806 where: bonds (distance) C4'-P energy: -2.355 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -8.729 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -7.188 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: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -61.905007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.905007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.905007 (E_RNA) where: Base-Base interactions energy: -33.939 where: short stacking energy: -18.516 Base-Backbone interact. energy: 0.658 local terms energy: -28.623786 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -1.765 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: 8, replica: 8 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -72.484090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.484090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.484090 (E_RNA) where: Base-Base interactions energy: -43.404 where: short stacking energy: -10.392 Base-Backbone interact. energy: -0.201 local terms energy: -28.878737 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -1.241 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: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -50.817942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.817942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.817942 (E_RNA) where: Base-Base interactions energy: -21.118 where: short stacking energy: -21.118 Base-Backbone interact. energy: -0.019 local terms energy: -29.680700 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -5.094 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: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -51.004111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.004111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.004111 (E_RNA) where: Base-Base interactions energy: -20.148 where: short stacking energy: -13.318 Base-Backbone interact. energy: -0.092 local terms energy: -30.764596 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.855 flat angles C4'-P-C4' energy: -8.360 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -2.514 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: 1, replica: 2 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -111.533909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.533909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.533909 (E_RNA) where: Base-Base interactions energy: -83.037 where: short stacking energy: -33.587 Base-Backbone interact. energy: -0.068 local terms energy: -28.429235 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -3.118 flat angles P-C4'-P energy: -2.156 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: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -109.324262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.324262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.324262 (E_RNA) where: Base-Base interactions energy: -68.180 where: short stacking energy: -34.646 Base-Backbone interact. energy: -0.440 local terms energy: -40.704552 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: -7.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -110.571197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.571197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.571197 (E_RNA) where: Base-Base interactions energy: -72.110 where: short stacking energy: -36.637 Base-Backbone interact. energy: -1.686 local terms energy: -36.774787 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.969 flat angles P-C4'-P energy: -6.884 tors. eta vs tors. theta energy: -6.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -104.950236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.950236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.950236 (E_RNA) where: Base-Base interactions energy: -68.793 where: short stacking energy: -34.113 Base-Backbone interact. energy: -1.898 local terms energy: -34.259537 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.247 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -8.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -99.253201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.253201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.253201 (E_RNA) where: Base-Base interactions energy: -70.713 where: short stacking energy: -27.339 Base-Backbone interact. energy: -0.145 local terms energy: -28.395443 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -9.144 flat angles P-C4'-P energy: -1.228 tors. eta vs tors. theta energy: -3.421 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: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -94.880009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.880009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.880009 (E_RNA) where: Base-Base interactions energy: -65.303 where: short stacking energy: -29.284 Base-Backbone interact. energy: -0.002 local terms energy: -29.574723 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -8.886 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -59.080848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.080848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.080848 (E_RNA) where: Base-Base interactions energy: -26.834 where: short stacking energy: -26.834 Base-Backbone interact. energy: -0.025 local terms energy: -32.222005 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -6.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -62.475190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.475190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.475190 (E_RNA) where: Base-Base interactions energy: -31.035 where: short stacking energy: -16.161 Base-Backbone interact. energy: -0.050 local terms energy: -31.390796 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -7.526 tors. eta vs tors. theta energy: -1.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -51.095431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.095431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.095431 (E_RNA) where: Base-Base interactions energy: -23.113 where: short stacking energy: -20.300 Base-Backbone interact. energy: -0.104 local terms energy: -27.878448 where: bonds (distance) C4'-P energy: -6.669 bonds (distance) P-C4' energy: -6.594 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -46.896014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.896014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.896014 (E_RNA) where: Base-Base interactions energy: -19.760 where: short stacking energy: -18.653 Base-Backbone interact. energy: 1.262 local terms energy: -28.398152 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -109.433999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.433999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.433999 (E_RNA) where: Base-Base interactions energy: -79.631 where: short stacking energy: -37.674 Base-Backbone interact. energy: -0.226 local terms energy: -29.577180 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -4.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -111.704156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.704156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.704156 (E_RNA) where: Base-Base interactions energy: -82.232 where: short stacking energy: -34.408 Base-Backbone interact. energy: -0.597 local terms energy: -28.875877 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -9.257 flat angles P-C4'-P energy: 1.526 tors. eta vs tors. theta energy: -5.353 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: 234 Temperature: 1.000000 Total energy: -106.627910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.627910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.627910 (E_RNA) where: Base-Base interactions energy: -72.030 where: short stacking energy: -37.353 Base-Backbone interact. energy: -0.692 local terms energy: -33.905957 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -5.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -101.074513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.074513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.074513 (E_RNA) where: Base-Base interactions energy: -69.111 where: short stacking energy: -25.284 Base-Backbone interact. energy: -0.002 local terms energy: -31.961741 where: bonds (distance) C4'-P energy: -8.064 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -95.433542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.433542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.433542 (E_RNA) where: Base-Base interactions energy: -62.298 where: short stacking energy: -31.386 Base-Backbone interact. energy: -1.116 local terms energy: -32.020382 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -4.800 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -6.721 tors. eta vs tors. theta energy: -6.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -99.721832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.721832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.721832 (E_RNA) where: Base-Base interactions energy: -64.680 where: short stacking energy: -32.740 Base-Backbone interact. energy: -0.007 local terms energy: -35.034686 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -6.220 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: 7, replica: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -61.590172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.590172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.590172 (E_RNA) where: Base-Base interactions energy: -30.800 where: short stacking energy: -30.800 Base-Backbone interact. energy: 1.390 local terms energy: -32.179642 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -6.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -45.850840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.850840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.850840 (E_RNA) where: Base-Base interactions energy: -25.152 where: short stacking energy: -13.764 Base-Backbone interact. energy: -0.492 local terms energy: -20.206875 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -0.294 tors. eta vs tors. theta energy: 0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -59.965078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.965078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.965078 (E_RNA) where: Base-Base interactions energy: -29.676 where: short stacking energy: -29.676 Base-Backbone interact. energy: -0.009 local terms energy: -30.279837 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -4.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -57.732530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.732530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.732530 (E_RNA) where: Base-Base interactions energy: -37.040 where: short stacking energy: -13.510 Base-Backbone interact. energy: -0.026 local terms energy: -20.666703 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -2.993 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -107.804848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.804848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.804848 (E_RNA) where: Base-Base interactions energy: -72.356 where: short stacking energy: -34.995 Base-Backbone interact. energy: -0.270 local terms energy: -35.178972 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -5.704 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: 2 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -112.275371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.275371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.275371 (E_RNA) where: Base-Base interactions energy: -72.188 where: short stacking energy: -35.641 Base-Backbone interact. energy: -2.166 local terms energy: -37.921027 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -6.107 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: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -106.072367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.072367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.072367 (E_RNA) where: Base-Base interactions energy: -67.362 where: short stacking energy: -33.433 Base-Backbone interact. energy: -0.007 local terms energy: -38.703179 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.699 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -6.033 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: 4, replica: 3 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -103.690761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.690761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.690761 (E_RNA) where: Base-Base interactions energy: -71.433 where: short stacking energy: -34.264 Base-Backbone interact. energy: -0.009 local terms energy: -32.249240 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -7.404 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: 6 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -104.178325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.178325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.178325 (E_RNA) where: Base-Base interactions energy: -71.258 where: short stacking energy: -35.171 Base-Backbone interact. energy: -0.893 local terms energy: -32.026760 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -6.999 tors. eta vs tors. theta energy: -6.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -93.158689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.158689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.158689 (E_RNA) where: Base-Base interactions energy: -59.757 where: short stacking energy: -24.019 Base-Backbone interact. energy: -0.089 local terms energy: -33.311941 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -9.112 flat angles P-C4'-P energy: -5.244 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: 7, replica: 8 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -57.856467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.856467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.856467 (E_RNA) where: Base-Base interactions energy: -26.637 where: short stacking energy: -16.219 Base-Backbone interact. energy: -1.296 local terms energy: -29.922776 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -6.545 flat angles C4'-P-C4' energy: -9.256 flat angles P-C4'-P energy: -5.353 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: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -64.486392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.486392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.486392 (E_RNA) where: Base-Base interactions energy: -36.316 where: short stacking energy: -17.968 Base-Backbone interact. energy: -0.706 local terms energy: -27.464298 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -6.799 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -4.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -59.714226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.714226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.714226 (E_RNA) where: Base-Base interactions energy: -30.707 where: short stacking energy: -29.488 Base-Backbone interact. energy: -0.001 local terms energy: -29.006713 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.060 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -53.827547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.827547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.827547 (E_RNA) where: Base-Base interactions energy: -33.023 where: short stacking energy: -24.979 Base-Backbone interact. energy: 1.501 local terms energy: -22.305601 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -5.218 flat angles C4'-P-C4' energy: -5.587 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -110.031091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.031091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.031091 (E_RNA) where: Base-Base interactions energy: -73.361 where: short stacking energy: -38.221 Base-Backbone interact. energy: -0.329 local terms energy: -36.340771 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -5.571 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: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -110.303152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.303152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.303152 (E_RNA) where: Base-Base interactions energy: -72.844 where: short stacking energy: -36.021 Base-Backbone interact. energy: 0.455 local terms energy: -37.913642 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -7.579 tors. eta vs tors. theta energy: -8.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -106.007498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.007498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.007498 (E_RNA) where: Base-Base interactions energy: -69.321 where: short stacking energy: -32.551 Base-Backbone interact. energy: -1.342 local terms energy: -35.344937 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -6.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -102.875983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.875983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.875983 (E_RNA) where: Base-Base interactions energy: -71.498 where: short stacking energy: -31.526 Base-Backbone interact. energy: -0.096 local terms energy: -31.282024 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -3.678 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: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -94.370547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.370547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.370547 (E_RNA) where: Base-Base interactions energy: -66.849 where: short stacking energy: -26.220 Base-Backbone interact. energy: 0.128 local terms energy: -27.649176 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -0.728 tors. eta vs tors. theta energy: -5.086 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: 236 Temperature: 1.150000 Total energy: -98.103019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.103019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.103019 (E_RNA) where: Base-Base interactions energy: -66.006 where: short stacking energy: -31.800 Base-Backbone interact. energy: -0.043 local terms energy: -32.054315 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.335 flat angles P-C4'-P energy: -4.204 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: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -69.218734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.218734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.218734 (E_RNA) where: Base-Base interactions energy: -34.562 where: short stacking energy: -30.058 Base-Backbone interact. energy: -0.381 local terms energy: -34.276099 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -6.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -80.942954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.942954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.942954 (E_RNA) where: Base-Base interactions energy: -48.839 where: short stacking energy: -41.711 Base-Backbone interact. energy: -0.001 local terms energy: -32.103115 where: bonds (distance) C4'-P energy: -4.474 bonds (distance) P-C4' energy: -5.760 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -8.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -60.214149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.214149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.214149 (E_RNA) where: Base-Base interactions energy: -30.638 where: short stacking energy: -16.410 Base-Backbone interact. energy: -0.020 local terms energy: -29.556425 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: 0.482 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: 4 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -46.495903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.495903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.495903 (E_RNA) where: Base-Base interactions energy: -19.288 where: short stacking energy: -19.102 Base-Backbone interact. energy: -0.001 local terms energy: -27.206936 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -111.375576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.375576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.375576 (E_RNA) where: Base-Base interactions energy: -73.873 where: short stacking energy: -38.081 Base-Backbone interact. energy: -0.934 local terms energy: -36.568509 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -4.997 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: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -101.667303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.667303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.667303 (E_RNA) where: Base-Base interactions energy: -63.214 where: short stacking energy: -28.732 Base-Backbone interact. energy: -0.646 local terms energy: -37.808137 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -7.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -102.898380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.898380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.898380 (E_RNA) where: Base-Base interactions energy: -65.787 where: short stacking energy: -30.502 Base-Backbone interact. energy: -0.037 local terms energy: -37.074020 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -6.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -104.912045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.912045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.912045 (E_RNA) where: Base-Base interactions energy: -72.072 where: short stacking energy: -35.141 Base-Backbone interact. energy: -0.275 local terms energy: -32.565452 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -1.816 tors. eta vs tors. theta energy: -8.330 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: 9 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -104.358395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.358395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.358395 (E_RNA) where: Base-Base interactions energy: -66.203 where: short stacking energy: -32.812 Base-Backbone interact. energy: -0.370 local terms energy: -37.784929 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -8.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -64.930922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.930922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.930922 (E_RNA) where: Base-Base interactions energy: -35.182 where: short stacking energy: -24.692 Base-Backbone interact. energy: -0.011 local terms energy: -29.737539 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -91.071603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.071603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.071603 (E_RNA) where: Base-Base interactions energy: -61.930 where: short stacking energy: -22.710 Base-Backbone interact. energy: -0.110 local terms energy: -29.031343 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -6.222 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -4.519 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: 8, replica: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -57.894761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.894761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.894761 (E_RNA) where: Base-Base interactions energy: -30.877 where: short stacking energy: -19.065 Base-Backbone interact. energy: -0.308 local terms energy: -26.709430 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -3.151 flat angles P-C4'-P energy: -4.741 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: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -52.241205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.241205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.241205 (E_RNA) where: Base-Base interactions energy: -20.767 where: short stacking energy: -20.767 Base-Backbone interact. energy: -0.016 local terms energy: -31.458995 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -3.445 tors. eta vs tors. theta energy: -4.840 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: 4 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -57.120055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.120055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.120055 (E_RNA) where: Base-Base interactions energy: -25.574 where: short stacking energy: -23.484 Base-Backbone interact. energy: 0.305 local terms energy: -31.850317 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -112.828778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.828778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.828778 (E_RNA) where: Base-Base interactions energy: -75.034 where: short stacking energy: -37.127 Base-Backbone interact. energy: -1.452 local terms energy: -36.343138 where: bonds (distance) C4'-P energy: -6.939 bonds (distance) P-C4' energy: -6.925 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -6.804 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: 2, replica: 2 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -105.405347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.405347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.405347 (E_RNA) where: Base-Base interactions energy: -69.501 where: short stacking energy: -35.754 Base-Backbone interact. energy: -0.729 local terms energy: -35.175287 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -100.547222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.547222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.547222 (E_RNA) where: Base-Base interactions energy: -66.901 where: short stacking energy: -30.253 Base-Backbone interact. energy: -1.389 local terms energy: -32.257402 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -3.196 flat angles C4'-P-C4' energy: -8.568 flat angles P-C4'-P energy: -6.823 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: 4, replica: 5 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -104.024568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.024568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.024568 (E_RNA) where: Base-Base interactions energy: -67.640 where: short stacking energy: -31.174 Base-Backbone interact. energy: 0.021 local terms energy: -36.405620 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -6.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -106.525872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.525872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.525872 (E_RNA) where: Base-Base interactions energy: -70.651 where: short stacking energy: -35.058 Base-Backbone interact. energy: -1.032 local terms energy: -34.843129 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -7.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -97.725947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.725947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.725947 (E_RNA) where: Base-Base interactions energy: -66.109 where: short stacking energy: -29.274 Base-Backbone interact. energy: -0.003 local terms energy: -31.614158 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -7.990 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: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -53.334355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.334355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.334355 (E_RNA) where: Base-Base interactions energy: -24.620 where: short stacking energy: -24.620 Base-Backbone interact. energy: -0.095 local terms energy: -28.619163 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -3.086 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: 8, replica: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -102.970011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.970011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.970011 (E_RNA) where: Base-Base interactions energy: -69.956 where: short stacking energy: -31.472 Base-Backbone interact. energy: -0.009 local terms energy: -33.005478 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.402 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -59.611095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.611095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.611095 (E_RNA) where: Base-Base interactions energy: -28.291 where: short stacking energy: -28.291 Base-Backbone interact. energy: -0.006 local terms energy: -31.314133 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -4.834 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: 10, replica: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -54.601405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.601405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.601405 (E_RNA) where: Base-Base interactions energy: -25.082 where: short stacking energy: -25.082 Base-Backbone interact. energy: -0.012 local terms energy: -29.507567 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -2.490 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -108.032863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.032863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.032863 (E_RNA) where: Base-Base interactions energy: -73.916 where: short stacking energy: -38.265 Base-Backbone interact. energy: -0.731 local terms energy: -33.385058 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -6.452 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -8.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -105.164986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.164986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.164986 (E_RNA) where: Base-Base interactions energy: -70.504 where: short stacking energy: -36.970 Base-Backbone interact. energy: -1.931 local terms energy: -32.729271 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -5.136 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: 3, replica: 2 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -107.795435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.795435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.795435 (E_RNA) where: Base-Base interactions energy: -70.006 where: short stacking energy: -36.603 Base-Backbone interact. energy: -1.498 local terms energy: -36.291641 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -6.496 tors. eta vs tors. theta energy: -9.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -103.425531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.425531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.425531 (E_RNA) where: Base-Base interactions energy: -65.738 where: short stacking energy: -30.773 Base-Backbone interact. energy: -1.421 local terms energy: -36.267019 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -5.390 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: 5 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -93.544448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.544448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.544448 (E_RNA) where: Base-Base interactions energy: -63.206 where: short stacking energy: -29.407 Base-Backbone interact. energy: -0.024 local terms energy: -30.314167 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -8.675 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -99.929094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.929094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.929094 (E_RNA) where: Base-Base interactions energy: -68.266 where: short stacking energy: -32.365 Base-Backbone interact. energy: -0.105 local terms energy: -31.558607 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -5.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -52.409492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.409492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.409492 (E_RNA) where: Base-Base interactions energy: -22.956 where: short stacking energy: -22.956 Base-Backbone interact. energy: -0.003 local terms energy: -29.451139 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.792 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -2.162 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: 4 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -61.062453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.062453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.062453 (E_RNA) where: Base-Base interactions energy: -34.209 where: short stacking energy: -26.958 Base-Backbone interact. energy: -0.000 local terms energy: -26.853531 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -4.214 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: 6 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -45.857948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.857948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.857948 (E_RNA) where: Base-Base interactions energy: -23.175 where: short stacking energy: -9.882 Base-Backbone interact. energy: -0.237 local terms energy: -22.446297 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -0.761 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: 0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -65.826515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.826515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.826515 (E_RNA) where: Base-Base interactions energy: -34.598 where: short stacking energy: -20.697 Base-Backbone interact. energy: -0.008 local terms energy: -31.220536 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -6.587 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -3.985 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: 1, replica: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -113.156478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.156478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.156478 (E_RNA) where: Base-Base interactions energy: -74.520 where: short stacking energy: -37.101 Base-Backbone interact. energy: -0.864 local terms energy: -37.772111 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.057 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: -6.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -109.174055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.174055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.174055 (E_RNA) where: Base-Base interactions energy: -73.403 where: short stacking energy: -36.360 Base-Backbone interact. energy: -1.848 local terms energy: -33.922641 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.743 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -6.618 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: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -107.651145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.651145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.651145 (E_RNA) where: Base-Base interactions energy: -76.748 where: short stacking energy: -34.341 Base-Backbone interact. energy: -0.043 local terms energy: -30.859667 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -6.590 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -7.371 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: 240 Temperature: 1.050000 Total energy: -106.147150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.147150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.147150 (E_RNA) where: Base-Base interactions energy: -69.832 where: short stacking energy: -34.821 Base-Backbone interact. energy: -1.114 local terms energy: -35.200300 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -6.274 tors. eta vs tors. theta energy: -6.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -101.926070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.926070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.926070 (E_RNA) where: Base-Base interactions energy: -74.859 where: short stacking energy: -29.761 Base-Backbone interact. energy: -0.424 local terms energy: -26.642214 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: 0.570 tors. eta vs tors. theta energy: -7.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -101.356250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.356250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.356250 (E_RNA) where: Base-Base interactions energy: -67.319 where: short stacking energy: -36.239 Base-Backbone interact. energy: -0.003 local terms energy: -34.034456 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -5.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -65.706631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.706631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.706631 (E_RNA) where: Base-Base interactions energy: -30.534 where: short stacking energy: -30.534 Base-Backbone interact. energy: -0.001 local terms energy: -35.171737 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -53.183633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.183633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.183633 (E_RNA) where: Base-Base interactions energy: -20.161 where: short stacking energy: -20.161 Base-Backbone interact. energy: -0.017 local terms energy: -33.005081 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -56.437969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.437969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.437969 (E_RNA) where: Base-Base interactions energy: -30.556 where: short stacking energy: -25.438 Base-Backbone interact. energy: -0.151 local terms energy: -25.730315 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -56.611805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.611805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.611805 (E_RNA) where: Base-Base interactions energy: -30.862 where: short stacking energy: -16.724 Base-Backbone interact. energy: -0.192 local terms energy: -25.558536 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -1.990 tors. eta vs tors. theta energy: -0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -113.426130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.426130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.426130 (E_RNA) where: Base-Base interactions energy: -76.665 where: short stacking energy: -32.362 Base-Backbone interact. energy: -0.177 local terms energy: -36.583886 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -9.583 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -7.043 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: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -109.354423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.354423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.354423 (E_RNA) where: Base-Base interactions energy: -69.602 where: short stacking energy: -36.289 Base-Backbone interact. energy: -0.516 local terms energy: -39.236069 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.201 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -7.115 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: 2 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -97.696260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.696260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.696260 (E_RNA) where: Base-Base interactions energy: -64.855 where: short stacking energy: -26.724 Base-Backbone interact. energy: -0.003 local terms energy: -32.838057 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -1.298 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: 4, replica: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -104.768230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.768230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.768230 (E_RNA) where: Base-Base interactions energy: -69.057 where: short stacking energy: -36.534 Base-Backbone interact. energy: -0.007 local terms energy: -35.704394 where: bonds (distance) C4'-P energy: -7.245 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -8.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -92.737882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.737882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.737882 (E_RNA) where: Base-Base interactions energy: -67.389 where: short stacking energy: -29.253 Base-Backbone interact. energy: -0.005 local terms energy: -25.343820 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -4.607 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -1.129 tors. eta vs tors. theta energy: -6.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -94.970386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.970386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.970386 (E_RNA) where: Base-Base interactions energy: -69.285 where: short stacking energy: -36.356 Base-Backbone interact. energy: -0.047 local terms energy: -25.638830 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -6.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -64.624191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.624191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.624191 (E_RNA) where: Base-Base interactions energy: -31.174 where: short stacking energy: -25.922 Base-Backbone interact. energy: -0.000 local terms energy: -33.450140 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.011 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -3.572 tors. eta vs tors. theta energy: -8.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -55.609167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.609167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.609167 (E_RNA) where: Base-Base interactions energy: -24.962 where: short stacking energy: -24.962 Base-Backbone interact. energy: -0.007 local terms energy: -30.639680 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -55.175956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.175956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.175956 (E_RNA) where: Base-Base interactions energy: -27.633 where: short stacking energy: -20.222 Base-Backbone interact. energy: -0.005 local terms energy: -27.537485 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -5.404 flat angles C4'-P-C4' energy: -8.818 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -4.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -47.954460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.954460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.954460 (E_RNA) where: Base-Base interactions energy: -22.484 where: short stacking energy: -22.484 Base-Backbone interact. energy: -0.000 local terms energy: -25.470927 where: bonds (distance) C4'-P energy: -3.830 bonds (distance) P-C4' energy: -7.200 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -5.658 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -106.811657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.811657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.811657 (E_RNA) where: Base-Base interactions energy: -67.606 where: short stacking energy: -32.814 Base-Backbone interact. energy: -0.318 local terms energy: -38.887188 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -9.395 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -7.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -107.813170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.813170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.813170 (E_RNA) where: Base-Base interactions energy: -72.412 where: short stacking energy: -34.563 Base-Backbone interact. energy: -0.049 local terms energy: -35.352191 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -7.754 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -8.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -109.057395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.057395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.057395 (E_RNA) where: Base-Base interactions energy: -73.776 where: short stacking energy: -31.511 Base-Backbone interact. energy: -0.351 local terms energy: -34.930743 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -7.078 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: 4, replica: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -96.933484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.933484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.933484 (E_RNA) where: Base-Base interactions energy: -62.401 where: short stacking energy: -34.004 Base-Backbone interact. energy: -0.003 local terms energy: -34.529714 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: -5.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -93.497517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.497517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.497517 (E_RNA) where: Base-Base interactions energy: -66.886 where: short stacking energy: -27.776 Base-Backbone interact. energy: -0.006 local terms energy: -26.606112 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -7.177 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: 0.392 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: 6, replica: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -99.549919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.549919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.549919 (E_RNA) where: Base-Base interactions energy: -66.734 where: short stacking energy: -30.614 Base-Backbone interact. energy: -0.026 local terms energy: -32.790063 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.875 flat angles P-C4'-P energy: -3.863 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: 7, replica: 1 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -71.753379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.753379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.753379 (E_RNA) where: Base-Base interactions energy: -42.591 where: short stacking energy: -21.331 Base-Backbone interact. energy: -0.079 local terms energy: -29.083149 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -3.841 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: 8, replica: 4 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -52.201722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.201722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.201722 (E_RNA) where: Base-Base interactions energy: -27.949 where: short stacking energy: -18.152 Base-Backbone interact. energy: -0.003 local terms energy: -24.249724 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -1.014 flat angles P-C4'-P energy: -5.860 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: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -62.913593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.913593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.913593 (E_RNA) where: Base-Base interactions energy: -33.125 where: short stacking energy: -33.125 Base-Backbone interact. energy: -0.001 local terms energy: -29.788268 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -63.727296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.727296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.727296 (E_RNA) where: Base-Base interactions energy: -37.817 where: short stacking energy: -17.286 Base-Backbone interact. energy: -0.037 local terms energy: -25.872926 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -2.395 tors. eta vs tors. theta energy: -0.808 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: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -108.136875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.136875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.136875 (E_RNA) where: Base-Base interactions energy: -72.760 where: short stacking energy: -33.933 Base-Backbone interact. energy: -0.656 local terms energy: -34.720606 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -2.000 tors. eta vs tors. theta energy: -8.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -95.945622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.945622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.945622 (E_RNA) where: Base-Base interactions energy: -64.503 where: short stacking energy: -32.056 Base-Backbone interact. energy: -0.120 local terms energy: -31.322248 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -5.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -105.327788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.327788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.327788 (E_RNA) where: Base-Base interactions energy: -75.068 where: short stacking energy: -35.114 Base-Backbone interact. energy: -0.028 local terms energy: -30.231412 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -1.549 tors. eta vs tors. theta energy: -7.462 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: 8 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -104.097997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.097997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.097997 (E_RNA) where: Base-Base interactions energy: -68.234 where: short stacking energy: -33.940 Base-Backbone interact. energy: -1.521 local terms energy: -34.343576 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -6.150 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -7.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -101.145939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.145939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.145939 (E_RNA) where: Base-Base interactions energy: -63.354 where: short stacking energy: -28.040 Base-Backbone interact. energy: -0.000 local terms energy: -37.792156 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -7.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -90.948309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.948309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.948309 (E_RNA) where: Base-Base interactions energy: -65.190 where: short stacking energy: -24.952 Base-Backbone interact. energy: -0.091 local terms energy: -25.666935 where: bonds (distance) C4'-P energy: -3.506 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.243 flat angles P-C4'-P energy: -5.016 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: 7, replica: 1 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -47.840510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.840510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.840510 (E_RNA) where: Base-Base interactions energy: -21.627 where: short stacking energy: -10.931 Base-Backbone interact. energy: -0.160 local terms energy: -26.053290 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -6.276 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: 8, replica: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -55.883331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.883331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.883331 (E_RNA) where: Base-Base interactions energy: -26.251 where: short stacking energy: -22.298 Base-Backbone interact. energy: -0.355 local terms energy: -29.277814 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -50.231949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.231949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.231949 (E_RNA) where: Base-Base interactions energy: -25.495 where: short stacking energy: -23.413 Base-Backbone interact. energy: -0.083 local terms energy: -24.653495 where: bonds (distance) C4'-P energy: -7.721 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -2.639 tors. eta vs tors. theta energy: -2.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -54.635729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.635729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.635729 (E_RNA) where: Base-Base interactions energy: -25.852 where: short stacking energy: -21.487 Base-Backbone interact. energy: -2.222 local terms energy: -26.561651 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.277 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -2.739 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: 1, replica: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -98.636199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.636199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.636199 (E_RNA) where: Base-Base interactions energy: -59.482 where: short stacking energy: -30.110 Base-Backbone interact. energy: -1.068 local terms energy: -38.085730 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -9.464 flat angles P-C4'-P energy: -6.555 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: 2, replica: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -104.596999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.596999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.596999 (E_RNA) where: Base-Base interactions energy: -70.987 where: short stacking energy: -32.036 Base-Backbone interact. energy: -0.069 local terms energy: -33.541463 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -0.825 tors. eta vs tors. theta energy: -9.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -103.999351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.999351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.999351 (E_RNA) where: Base-Base interactions energy: -70.829 where: short stacking energy: -36.200 Base-Backbone interact. energy: -1.824 local terms energy: -31.346174 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -6.072 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: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -108.001358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.001358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.001358 (E_RNA) where: Base-Base interactions energy: -70.946 where: short stacking energy: -35.133 Base-Backbone interact. energy: -0.000 local terms energy: -37.055241 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -9.010 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: 244 Temperature: 1.100000 Total energy: -101.259566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.259566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.259566 (E_RNA) where: Base-Base interactions energy: -76.191 where: short stacking energy: -30.744 Base-Backbone interact. energy: -0.364 local terms energy: -24.704986 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: 1.683 tors. eta vs tors. theta energy: -1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -100.005360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.005360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.005360 (E_RNA) where: Base-Base interactions energy: -61.701 where: short stacking energy: -34.704 Base-Backbone interact. energy: -0.480 local terms energy: -37.825005 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -5.835 tors. eta vs tors. theta energy: -9.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -66.776389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.776389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.776389 (E_RNA) where: Base-Base interactions energy: -41.403 where: short stacking energy: -26.980 Base-Backbone interact. energy: -0.085 local terms energy: -25.288184 where: bonds (distance) C4'-P energy: -3.675 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -1.867 tors. eta vs tors. theta energy: -3.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -65.502005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.502005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.502005 (E_RNA) where: Base-Base interactions energy: -35.144 where: short stacking energy: -23.075 Base-Backbone interact. energy: -0.027 local terms energy: -30.331221 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -5.019 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: 244 Temperature: 1.300000 Total energy: -61.021525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.021525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.021525 (E_RNA) where: Base-Base interactions energy: -26.972 where: short stacking energy: -26.972 Base-Backbone interact. energy: -0.000 local terms energy: -34.049437 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -8.798 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -6.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -53.469010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.469010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.469010 (E_RNA) where: Base-Base interactions energy: -26.323 where: short stacking energy: -26.216 Base-Backbone interact. energy: -0.015 local terms energy: -27.131569 where: bonds (distance) C4'-P energy: -5.119 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -4.199 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: 245 Temperature: 0.900000 Total energy: -98.581320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.581320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.581320 (E_RNA) where: Base-Base interactions energy: -67.296 where: short stacking energy: -31.250 Base-Backbone interact. energy: -0.056 local terms energy: -31.228923 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -6.076 flat angles C4'-P-C4' energy: -8.703 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -4.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -105.328895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.328895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.328895 (E_RNA) where: Base-Base interactions energy: -71.167 where: short stacking energy: -35.988 Base-Backbone interact. energy: -0.001 local terms energy: -34.161193 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -7.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -110.912736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.912736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.912736 (E_RNA) where: Base-Base interactions energy: -80.313 where: short stacking energy: -33.617 Base-Backbone interact. energy: -0.016 local terms energy: -30.583651 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -6.923 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -3.158 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: 4, replica: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -103.026695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.026695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.026695 (E_RNA) where: Base-Base interactions energy: -74.664 where: short stacking energy: -31.104 Base-Backbone interact. energy: -0.000 local terms energy: -28.362729 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -1.810 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: 5, replica: 5 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -100.831655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.831655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.831655 (E_RNA) where: Base-Base interactions energy: -68.111 where: short stacking energy: -32.546 Base-Backbone interact. energy: -0.011 local terms energy: -32.709485 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -7.793 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -5.884 tors. eta vs tors. theta energy: -5.486 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: 6, replica: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -90.303063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.303063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.303063 (E_RNA) where: Base-Base interactions energy: -58.565 where: short stacking energy: -25.414 Base-Backbone interact. energy: -0.023 local terms energy: -31.714409 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -9.166 flat angles P-C4'-P energy: -4.801 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: 7, replica: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -95.808128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.808128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.808128 (E_RNA) where: Base-Base interactions energy: -67.029 where: short stacking energy: -28.961 Base-Backbone interact. energy: 0.533 local terms energy: -29.312434 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -51.746280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.746280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.746280 (E_RNA) where: Base-Base interactions energy: -29.177 where: short stacking energy: -21.020 Base-Backbone interact. energy: -0.020 local terms energy: -22.549260 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: 1.205 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: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -48.204797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.204797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.204797 (E_RNA) where: Base-Base interactions energy: -27.580 where: short stacking energy: -13.520 Base-Backbone interact. energy: -0.571 local terms energy: -20.054411 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -4.803 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: 10, replica: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -48.755524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.755524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.755524 (E_RNA) where: Base-Base interactions energy: -24.412 where: short stacking energy: -12.967 Base-Backbone interact. energy: -0.103 local terms energy: -24.240215 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -3.979 flat angles P-C4'-P energy: -4.888 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: 1, replica: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -109.068900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.068900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.068900 (E_RNA) where: Base-Base interactions energy: -72.437 where: short stacking energy: -37.208 Base-Backbone interact. energy: -0.129 local terms energy: -36.503204 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -7.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -105.439782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.439782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.439782 (E_RNA) where: Base-Base interactions energy: -65.519 where: short stacking energy: -35.294 Base-Backbone interact. energy: -0.813 local terms energy: -39.108165 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: -9.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -109.344345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.344345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.344345 (E_RNA) where: Base-Base interactions energy: -83.684 where: short stacking energy: -32.245 Base-Backbone interact. energy: -0.289 local terms energy: -25.370857 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -4.457 flat angles P-C4'-P energy: -0.083 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -99.468614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.468614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.468614 (E_RNA) where: Base-Base interactions energy: -65.617 where: short stacking energy: -32.120 Base-Backbone interact. energy: -0.009 local terms energy: -33.842231 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -5.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -104.770807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.770807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.770807 (E_RNA) where: Base-Base interactions energy: -74.204 where: short stacking energy: -35.413 Base-Backbone interact. energy: -0.448 local terms energy: -30.118944 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: -8.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -104.005237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.005237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.005237 (E_RNA) where: Base-Base interactions energy: -67.122 where: short stacking energy: -34.288 Base-Backbone interact. energy: -0.504 local terms energy: -36.378487 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -6.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -63.633014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.633014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.633014 (E_RNA) where: Base-Base interactions energy: -36.156 where: short stacking energy: -29.541 Base-Backbone interact. energy: -0.717 local terms energy: -26.760148 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -94.512189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.512189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.512189 (E_RNA) where: Base-Base interactions energy: -64.446 where: short stacking energy: -30.090 Base-Backbone interact. energy: -0.002 local terms energy: -30.064108 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -2.353 tors. eta vs tors. theta energy: -4.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -50.922277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.922277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.922277 (E_RNA) where: Base-Base interactions energy: -25.037 where: short stacking energy: -25.037 Base-Backbone interact. energy: -0.094 local terms energy: -25.791095 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -2.706 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -48.194592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.194592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.194592 (E_RNA) where: Base-Base interactions energy: -24.224 where: short stacking energy: -20.526 Base-Backbone interact. energy: -0.153 local terms energy: -23.817123 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -112.663124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.663124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.663124 (E_RNA) where: Base-Base interactions energy: -74.253 where: short stacking energy: -31.103 Base-Backbone interact. energy: -0.053 local terms energy: -38.357269 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -6.976 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: 3 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -103.771157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.771157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.771157 (E_RNA) where: Base-Base interactions energy: -69.137 where: short stacking energy: -33.466 Base-Backbone interact. energy: -0.584 local terms energy: -34.050358 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -7.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -105.180210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.180210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.180210 (E_RNA) where: Base-Base interactions energy: -72.533 where: short stacking energy: -35.932 Base-Backbone interact. energy: -0.006 local terms energy: -32.641077 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -7.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -92.896428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.896428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.896428 (E_RNA) where: Base-Base interactions energy: -61.802 where: short stacking energy: -29.376 Base-Backbone interact. energy: -0.013 local terms energy: -31.080934 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -3.768 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -111.531149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.531149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.531149 (E_RNA) where: Base-Base interactions energy: -82.784 where: short stacking energy: -33.276 Base-Backbone interact. energy: -0.009 local terms energy: -28.737866 where: bonds (distance) C4'-P energy: -5.746 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -0.469 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: 6, replica: 5 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -92.929231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.929231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.929231 (E_RNA) where: Base-Base interactions energy: -64.843 where: short stacking energy: -33.575 Base-Backbone interact. energy: -0.507 local terms energy: -27.578954 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -5.269 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -1.625 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -56.214930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.214930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.214930 (E_RNA) where: Base-Base interactions energy: -26.667 where: short stacking energy: -22.214 Base-Backbone interact. energy: -0.096 local terms energy: -29.452196 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -4.497 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -2.721 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: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -98.969633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.969633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.969633 (E_RNA) where: Base-Base interactions energy: -73.217 where: short stacking energy: -35.253 Base-Backbone interact. energy: -0.026 local terms energy: -25.727007 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.226 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -0.822 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: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -55.568379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.568379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.568379 (E_RNA) where: Base-Base interactions energy: -29.683 where: short stacking energy: -26.332 Base-Backbone interact. energy: -0.000 local terms energy: -25.884950 where: bonds (distance) C4'-P energy: -7.211 bonds (distance) P-C4' energy: -4.637 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -0.881 tors. eta vs tors. theta energy: -5.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -46.353978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.353978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.353978 (E_RNA) where: Base-Base interactions energy: -21.396 where: short stacking energy: -21.396 Base-Backbone interact. energy: -0.077 local terms energy: -24.881337 where: bonds (distance) C4'-P energy: -4.545 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -2.167 tors. eta vs tors. theta energy: -3.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -110.513962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.513962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.513962 (E_RNA) where: Base-Base interactions energy: -73.569 where: short stacking energy: -36.388 Base-Backbone interact. energy: -0.539 local terms energy: -36.406014 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -9.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -112.188803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.188803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.188803 (E_RNA) where: Base-Base interactions energy: -79.115 where: short stacking energy: -34.853 Base-Backbone interact. energy: -0.003 local terms energy: -33.070711 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -7.406 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -7.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -103.511654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.511654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.511654 (E_RNA) where: Base-Base interactions energy: -68.896 where: short stacking energy: -36.354 Base-Backbone interact. energy: -0.001 local terms energy: -34.614372 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -6.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -95.520640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.520640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.520640 (E_RNA) where: Base-Base interactions energy: -62.062 where: short stacking energy: -29.403 Base-Backbone interact. energy: -0.098 local terms energy: -33.361280 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -105.088641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.088641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.088641 (E_RNA) where: Base-Base interactions energy: -67.577 where: short stacking energy: -34.782 Base-Backbone interact. energy: -0.037 local terms energy: -37.474683 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.069 flat angles P-C4'-P energy: -6.653 tors. eta vs tors. theta energy: -7.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -101.667111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.667111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.667111 (E_RNA) where: Base-Base interactions energy: -69.097 where: short stacking energy: -35.166 Base-Backbone interact. energy: -0.562 local terms energy: -32.008225 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -4.596 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -6.635 tors. eta vs tors. theta energy: -7.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -88.486923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.486923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.486923 (E_RNA) where: Base-Base interactions energy: -59.751 where: short stacking energy: -24.771 Base-Backbone interact. energy: -1.596 local terms energy: -27.139586 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -7.998 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -2.566 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -64.844004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.844004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.844004 (E_RNA) where: Base-Base interactions energy: -29.069 where: short stacking energy: -29.069 Base-Backbone interact. energy: -0.000 local terms energy: -35.774631 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.299 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -8.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -49.608406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.608406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.608406 (E_RNA) where: Base-Base interactions energy: -23.750 where: short stacking energy: -17.391 Base-Backbone interact. energy: -0.103 local terms energy: -25.755505 where: bonds (distance) C4'-P energy: -5.584 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -56.394215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.394215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.394215 (E_RNA) where: Base-Base interactions energy: -25.056 where: short stacking energy: -25.056 Base-Backbone interact. energy: 1.696 local terms energy: -33.034872 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -5.757 tors. eta vs tors. theta energy: -4.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -113.333577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.333577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.333577 (E_RNA) where: Base-Base interactions energy: -73.637 where: short stacking energy: -36.696 Base-Backbone interact. energy: -2.276 local terms energy: -37.420652 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -6.854 tors. eta vs tors. theta energy: -8.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -108.255157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.255157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.255157 (E_RNA) where: Base-Base interactions energy: -69.126 where: short stacking energy: -36.442 Base-Backbone interact. energy: -0.088 local terms energy: -39.040899 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.606 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -6.556 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: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -105.010059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.010059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.010059 (E_RNA) where: Base-Base interactions energy: -76.220 where: short stacking energy: -36.597 Base-Backbone interact. energy: -0.002 local terms energy: -28.787941 where: bonds (distance) C4'-P energy: -3.349 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -105.847237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.847237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.847237 (E_RNA) where: Base-Base interactions energy: -68.461 where: short stacking energy: -36.413 Base-Backbone interact. energy: -0.013 local terms energy: -37.372835 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -8.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -98.458349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.458349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.458349 (E_RNA) where: Base-Base interactions energy: -67.570 where: short stacking energy: -35.212 Base-Backbone interact. energy: -0.014 local terms energy: -30.875037 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -2.917 tors. eta vs tors. theta energy: -4.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -93.125842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.125842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.125842 (E_RNA) where: Base-Base interactions energy: -65.262 where: short stacking energy: -30.467 Base-Backbone interact. energy: -0.471 local terms energy: -27.392962 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -4.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -102.422474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.422474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.422474 (E_RNA) where: Base-Base interactions energy: -66.233 where: short stacking energy: -31.827 Base-Backbone interact. energy: -1.334 local terms energy: -34.854767 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -6.491 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: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -56.258544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.258544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.258544 (E_RNA) where: Base-Base interactions energy: -30.401 where: short stacking energy: -14.029 Base-Backbone interact. energy: 0.503 local terms energy: -26.361271 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -72.336929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.336929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.336929 (E_RNA) where: Base-Base interactions energy: -47.121 where: short stacking energy: -20.266 Base-Backbone interact. energy: 0.576 local terms energy: -25.791347 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -4.224 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: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -69.256830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.256830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.256830 (E_RNA) where: Base-Base interactions energy: -31.216 where: short stacking energy: -31.216 Base-Backbone interact. energy: -0.000 local terms energy: -38.040849 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -7.489 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: 1, replica: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -108.660631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.660631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.660631 (E_RNA) where: Base-Base interactions energy: -72.974 where: short stacking energy: -30.579 Base-Backbone interact. energy: -0.060 local terms energy: -35.626999 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -6.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -105.951672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.951672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.951672 (E_RNA) where: Base-Base interactions energy: -68.041 where: short stacking energy: -34.501 Base-Backbone interact. energy: -1.335 local terms energy: -36.575273 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -6.235 tors. eta vs tors. theta energy: -7.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -111.748569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.748569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.748569 (E_RNA) where: Base-Base interactions energy: -78.856 where: short stacking energy: -35.376 Base-Backbone interact. energy: -0.031 local terms energy: -32.861871 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -4.521 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: 4, replica: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -104.476315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.476315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.476315 (E_RNA) where: Base-Base interactions energy: -72.033 where: short stacking energy: -29.824 Base-Backbone interact. energy: -0.046 local terms energy: -32.397243 where: bonds (distance) C4'-P energy: -5.279 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -4.419 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: 5, replica: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -94.207918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.207918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.207918 (E_RNA) where: Base-Base interactions energy: -64.960 where: short stacking energy: -31.903 Base-Backbone interact. energy: 0.276 local terms energy: -29.524022 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -99.189018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.189018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.189018 (E_RNA) where: Base-Base interactions energy: -66.476 where: short stacking energy: -33.256 Base-Backbone interact. energy: -0.050 local terms energy: -32.663151 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -6.220 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: 7, replica: 10 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -96.986034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.986034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.986034 (E_RNA) where: Base-Base interactions energy: -65.605 where: short stacking energy: -29.100 Base-Backbone interact. energy: -0.887 local terms energy: -30.494189 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -6.532 flat angles C4'-P-C4' energy: -7.141 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -4.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -87.478986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.478986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.478986 (E_RNA) where: Base-Base interactions energy: -57.061 where: short stacking energy: -22.908 Base-Backbone interact. energy: -1.154 local terms energy: -29.264027 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -4.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -52.945666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.945666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.945666 (E_RNA) where: Base-Base interactions energy: -24.571 where: short stacking energy: -22.113 Base-Backbone interact. energy: -0.880 local terms energy: -27.494800 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -6.637 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -66.378597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.378597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.378597 (E_RNA) where: Base-Base interactions energy: -32.415 where: short stacking energy: -32.415 Base-Backbone interact. energy: -0.000 local terms energy: -33.963122 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -6.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -109.013053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.013053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.013053 (E_RNA) where: Base-Base interactions energy: -72.763 where: short stacking energy: -35.944 Base-Backbone interact. energy: -0.490 local terms energy: -35.760320 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -3.561 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: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -104.179537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.179537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.179537 (E_RNA) where: Base-Base interactions energy: -71.083 where: short stacking energy: -31.986 Base-Backbone interact. energy: -0.016 local terms energy: -33.080657 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -5.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -107.366266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.366266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.366266 (E_RNA) where: Base-Base interactions energy: -69.092 where: short stacking energy: -34.045 Base-Backbone interact. energy: -1.869 local terms energy: -36.405255 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -6.639 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: -97.991913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.991913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.991913 (E_RNA) where: Base-Base interactions energy: -63.573 where: short stacking energy: -32.430 Base-Backbone interact. energy: -0.424 local terms energy: -33.995467 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -5.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -109.965140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.965140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.965140 (E_RNA) where: Base-Base interactions energy: -68.480 where: short stacking energy: -32.539 Base-Backbone interact. energy: -1.654 local terms energy: -39.831912 where: bonds (distance) C4'-P energy: -6.574 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -8.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -99.219887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.219887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.219887 (E_RNA) where: Base-Base interactions energy: -69.687 where: short stacking energy: -35.686 Base-Backbone interact. energy: -0.053 local terms energy: -29.479343 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -5.777 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: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -99.235111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.235111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.235111 (E_RNA) where: Base-Base interactions energy: -75.451 where: short stacking energy: -24.991 Base-Backbone interact. energy: -0.071 local terms energy: -23.713172 where: bonds (distance) C4'-P energy: -3.588 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -0.255 tors. eta vs tors. theta energy: -6.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -65.277389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.277389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.277389 (E_RNA) where: Base-Base interactions energy: -39.305 where: short stacking energy: -20.274 Base-Backbone interact. energy: -0.010 local terms energy: -25.961746 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -2.269 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -57.847049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.847049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.847049 (E_RNA) where: Base-Base interactions energy: -28.157 where: short stacking energy: -26.499 Base-Backbone interact. energy: -0.200 local terms energy: -29.490403 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -3.653 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -7.386 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: 4 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -45.726267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.726267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.726267 (E_RNA) where: Base-Base interactions energy: -20.652 where: short stacking energy: -14.778 Base-Backbone interact. energy: -0.295 local terms energy: -24.779508 where: bonds (distance) C4'-P energy: -5.494 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -2.311 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: 1, replica: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -110.891463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.891463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.891463 (E_RNA) where: Base-Base interactions energy: -73.383 where: short stacking energy: -37.220 Base-Backbone interact. energy: 0.605 local terms energy: -38.113029 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.784 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: -8.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -112.648985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.648985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.648985 (E_RNA) where: Base-Base interactions energy: -76.496 where: short stacking energy: -38.126 Base-Backbone interact. energy: -2.102 local terms energy: -34.051226 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -8.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -106.478054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.478054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.478054 (E_RNA) where: Base-Base interactions energy: -71.666 where: short stacking energy: -31.549 Base-Backbone interact. energy: -0.052 local terms energy: -34.760382 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: -1.924 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: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -116.307011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.307011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.307011 (E_RNA) where: Base-Base interactions energy: -83.485 where: short stacking energy: -34.018 Base-Backbone interact. energy: -0.018 local terms energy: -32.803725 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -2.024 tors. eta vs tors. theta energy: -5.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -106.495802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.495802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.495802 (E_RNA) where: Base-Base interactions energy: -70.419 where: short stacking energy: -34.548 Base-Backbone interact. energy: -1.492 local terms energy: -34.584802 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -6.114 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: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -95.635798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.635798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.635798 (E_RNA) where: Base-Base interactions energy: -65.039 where: short stacking energy: -31.721 Base-Backbone interact. energy: -0.338 local terms energy: -30.259077 where: bonds (distance) C4'-P energy: -4.760 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -5.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -95.488004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.488004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.488004 (E_RNA) where: Base-Base interactions energy: -65.620 where: short stacking energy: -32.743 Base-Backbone interact. energy: 0.024 local terms energy: -29.892692 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -8.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -59.668317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.668317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.668317 (E_RNA) where: Base-Base interactions energy: -34.748 where: short stacking energy: -16.971 Base-Backbone interact. energy: -0.049 local terms energy: -24.872025 where: bonds (distance) C4'-P energy: -5.886 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -60.630356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.630356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.630356 (E_RNA) where: Base-Base interactions energy: -33.452 where: short stacking energy: -21.104 Base-Backbone interact. energy: -0.009 local terms energy: -27.169056 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: -0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -57.998275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.998275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.998275 (E_RNA) where: Base-Base interactions energy: -28.749 where: short stacking energy: -19.031 Base-Backbone interact. energy: -0.057 local terms energy: -29.192695 where: bonds (distance) C4'-P energy: -5.494 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -3.664 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: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -107.146774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.146774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.146774 (E_RNA) where: Base-Base interactions energy: -71.980 where: short stacking energy: -34.755 Base-Backbone interact. energy: -0.027 local terms energy: -35.139187 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -9.129 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: 3 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -102.817451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.817451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.817451 (E_RNA) where: Base-Base interactions energy: -66.445 where: short stacking energy: -30.322 Base-Backbone interact. energy: -1.108 local terms energy: -35.263885 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.845 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: -4.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -104.064038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.064038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.064038 (E_RNA) where: Base-Base interactions energy: -69.240 where: short stacking energy: -34.112 Base-Backbone interact. energy: -0.124 local terms energy: -34.699513 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -5.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -106.077312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.077312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.077312 (E_RNA) where: Base-Base interactions energy: -72.447 where: short stacking energy: -37.875 Base-Backbone interact. energy: -1.137 local terms energy: -32.493350 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -103.467378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.467378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.467378 (E_RNA) where: Base-Base interactions energy: -69.042 where: short stacking energy: -33.559 Base-Backbone interact. energy: -1.086 local terms energy: -33.339982 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -6.865 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -98.712668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.712668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.712668 (E_RNA) where: Base-Base interactions energy: -68.882 where: short stacking energy: -32.145 Base-Backbone interact. energy: -0.357 local terms energy: -29.474429 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: 1.090 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: 7, replica: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -86.113885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.113885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.113885 (E_RNA) where: Base-Base interactions energy: -61.141 where: short stacking energy: -29.972 Base-Backbone interact. energy: -0.014 local terms energy: -24.958948 where: bonds (distance) C4'-P energy: -5.697 bonds (distance) P-C4' energy: -4.594 flat angles C4'-P-C4' energy: -9.261 flat angles P-C4'-P energy: -1.782 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -59.815007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.815007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.815007 (E_RNA) where: Base-Base interactions energy: -25.178 where: short stacking energy: -25.025 Base-Backbone interact. energy: -0.000 local terms energy: -34.637226 where: bonds (distance) C4'-P energy: -6.617 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -5.510 tors. eta vs tors. theta energy: -5.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -54.212511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.212511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.212511 (E_RNA) where: Base-Base interactions energy: -25.630 where: short stacking energy: -25.630 Base-Backbone interact. energy: -0.051 local terms energy: -28.531153 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -59.881877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.881877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.881877 (E_RNA) where: Base-Base interactions energy: -23.608 where: short stacking energy: -23.608 Base-Backbone interact. energy: -0.000 local terms energy: -36.274319 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -5.333 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: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -100.646698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.646698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.646698 (E_RNA) where: Base-Base interactions energy: -62.669 where: short stacking energy: -31.885 Base-Backbone interact. energy: -1.447 local terms energy: -36.530405 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -6.740 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -108.333110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.333110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.333110 (E_RNA) where: Base-Base interactions energy: -71.556 where: short stacking energy: -35.625 Base-Backbone interact. energy: -0.020 local terms energy: -36.757039 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -8.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -102.794168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.794168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.794168 (E_RNA) where: Base-Base interactions energy: -67.093 where: short stacking energy: -26.302 Base-Backbone interact. energy: -0.064 local terms energy: -35.637844 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -7.785 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: 10 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -109.046286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.046286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.046286 (E_RNA) where: Base-Base interactions energy: -69.809 where: short stacking energy: -32.446 Base-Backbone interact. energy: -1.960 local terms energy: -37.277407 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -6.967 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: 5, replica: 9 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -100.168058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.168058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.168058 (E_RNA) where: Base-Base interactions energy: -66.662 where: short stacking energy: -33.660 Base-Backbone interact. energy: -0.384 local terms energy: -33.122487 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -7.036 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -7.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -103.052096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.052096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.052096 (E_RNA) where: Base-Base interactions energy: -67.514 where: short stacking energy: -34.971 Base-Backbone interact. energy: -0.745 local terms energy: -34.792680 where: bonds (distance) C4'-P energy: -5.166 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -6.529 tors. eta vs tors. theta energy: -8.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -100.266993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.266993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.266993 (E_RNA) where: Base-Base interactions energy: -61.693 where: short stacking energy: -28.001 Base-Backbone interact. energy: -0.005 local terms energy: -38.568457 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -8.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -52.583042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.583042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.583042 (E_RNA) where: Base-Base interactions energy: -24.717 where: short stacking energy: -24.717 Base-Backbone interact. energy: -0.093 local terms energy: -27.773093 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: 0.465 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -47.451547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.451547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.451547 (E_RNA) where: Base-Base interactions energy: -19.155 where: short stacking energy: -19.155 Base-Backbone interact. energy: -0.120 local terms energy: -28.176450 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -3.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -47.867974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.867974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.867974 (E_RNA) where: Base-Base interactions energy: -16.571 where: short stacking energy: -16.571 Base-Backbone interact. energy: -0.085 local terms energy: -31.211434 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -4.227 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: 1, replica: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -100.490515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.490515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.490515 (E_RNA) where: Base-Base interactions energy: -62.426 where: short stacking energy: -30.645 Base-Backbone interact. energy: -1.234 local terms energy: -36.830400 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -4.559 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: 2, replica: 2 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -110.240143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.240143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.240143 (E_RNA) where: Base-Base interactions energy: -71.715 where: short stacking energy: -36.228 Base-Backbone interact. energy: -0.001 local terms energy: -38.523478 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.925 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -7.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -103.622530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.622530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.622530 (E_RNA) where: Base-Base interactions energy: -65.830 where: short stacking energy: -33.118 Base-Backbone interact. energy: -0.286 local terms energy: -37.506455 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.490 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -7.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -99.173871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.173871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.173871 (E_RNA) where: Base-Base interactions energy: -66.573 where: short stacking energy: -33.644 Base-Backbone interact. energy: -0.264 local terms energy: -32.336945 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -6.837 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: 5, replica: 10 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -100.286005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.286005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.286005 (E_RNA) where: Base-Base interactions energy: -66.900 where: short stacking energy: -34.116 Base-Backbone interact. energy: -1.263 local terms energy: -32.122801 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -5.272 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -4.800 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: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -95.618026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.618026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.618026 (E_RNA) where: Base-Base interactions energy: -69.059 where: short stacking energy: -33.124 Base-Backbone interact. energy: -0.002 local terms energy: -26.557543 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: 2.842 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: 7, replica: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -96.206094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.206094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.206094 (E_RNA) where: Base-Base interactions energy: -68.607 where: short stacking energy: -34.593 Base-Backbone interact. energy: -0.005 local terms energy: -27.594522 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -6.340 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -3.374 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: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -59.086713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.086713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.086713 (E_RNA) where: Base-Base interactions energy: -24.434 where: short stacking energy: -24.434 Base-Backbone interact. energy: -0.001 local terms energy: -34.652214 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -6.425 tors. eta vs tors. theta energy: -5.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -50.021041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.021041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.021041 (E_RNA) where: Base-Base interactions energy: -20.059 where: short stacking energy: -20.059 Base-Backbone interact. energy: -0.000 local terms energy: -29.961635 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.656 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -3.645 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: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -49.685070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.685070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.685070 (E_RNA) where: Base-Base interactions energy: -23.578 where: short stacking energy: -23.578 Base-Backbone interact. energy: -0.000 local terms energy: -26.106658 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -6.506 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -2.667 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: 1, replica: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -108.489044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.489044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.489044 (E_RNA) where: Base-Base interactions energy: -71.335 where: short stacking energy: -34.914 Base-Backbone interact. energy: -0.180 local terms energy: -36.973333 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.728 flat angles P-C4'-P energy: -7.575 tors. eta vs tors. theta energy: -6.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -108.877527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.877527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.877527 (E_RNA) where: Base-Base interactions energy: -68.842 where: short stacking energy: -36.832 Base-Backbone interact. energy: -1.057 local terms energy: -38.978753 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -7.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -93.761214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.761214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.761214 (E_RNA) where: Base-Base interactions energy: -62.646 where: short stacking energy: -29.819 Base-Backbone interact. energy: -0.003 local terms energy: -31.111902 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -6.925 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -5.289 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: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -107.396055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.396055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.396055 (E_RNA) where: Base-Base interactions energy: -73.337 where: short stacking energy: -35.972 Base-Backbone interact. energy: -1.503 local terms energy: -32.556649 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -9.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -100.472422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.472422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.472422 (E_RNA) where: Base-Base interactions energy: -67.115 where: short stacking energy: -31.035 Base-Backbone interact. energy: -0.029 local terms energy: -33.328178 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -102.530627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.530627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.530627 (E_RNA) where: Base-Base interactions energy: -70.856 where: short stacking energy: -37.260 Base-Backbone interact. energy: -0.003 local terms energy: -31.671712 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -3.334 tors. eta vs tors. theta energy: -6.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -94.272033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.272033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.272033 (E_RNA) where: Base-Base interactions energy: -62.777 where: short stacking energy: -27.182 Base-Backbone interact. energy: -0.062 local terms energy: -31.433673 where: bonds (distance) C4'-P energy: -4.790 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -6.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -80.191829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.191829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.191829 (E_RNA) where: Base-Base interactions energy: -50.562 where: short stacking energy: -25.121 Base-Backbone interact. energy: 1.592 local terms energy: -31.221190 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.431 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -0.973 tors. eta vs tors. theta energy: -6.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -58.346040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.346040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.346040 (E_RNA) where: Base-Base interactions energy: -28.407 where: short stacking energy: -26.651 Base-Backbone interact. energy: -0.002 local terms energy: -29.936987 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.188 flat angles C4'-P-C4' energy: -9.091 flat angles P-C4'-P energy: -5.084 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: 10, replica: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -50.703558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.703558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.703558 (E_RNA) where: Base-Base interactions energy: -20.135 where: short stacking energy: -17.074 Base-Backbone interact. energy: -0.274 local terms energy: -30.294599 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -109.155658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.155658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.155658 (E_RNA) where: Base-Base interactions energy: -66.924 where: short stacking energy: -35.984 Base-Backbone interact. energy: -1.537 local terms energy: -40.694593 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -9.074 flat angles P-C4'-P energy: -6.037 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: 2, replica: 3 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -108.864945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.864945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.864945 (E_RNA) where: Base-Base interactions energy: -70.451 where: short stacking energy: -34.549 Base-Backbone interact. energy: -1.599 local terms energy: -36.814961 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: -7.952 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: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -103.564081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.564081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.564081 (E_RNA) where: Base-Base interactions energy: -70.129 where: short stacking energy: -35.795 Base-Backbone interact. energy: -0.016 local terms energy: -33.419120 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -5.961 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: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -99.778570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.778570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.778570 (E_RNA) where: Base-Base interactions energy: -65.651 where: short stacking energy: -30.310 Base-Backbone interact. energy: -0.330 local terms energy: -33.797365 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -111.149761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.149761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.149761 (E_RNA) where: Base-Base interactions energy: -72.909 where: short stacking energy: -35.611 Base-Backbone interact. energy: -0.463 local terms energy: -37.777774 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -5.426 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: 6, replica: 5 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -102.680388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.680388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.680388 (E_RNA) where: Base-Base interactions energy: -81.858 where: short stacking energy: -34.714 Base-Backbone interact. energy: -0.016 local terms energy: -20.806166 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -1.630 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -99.898062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.898062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.898062 (E_RNA) where: Base-Base interactions energy: -70.398 where: short stacking energy: -34.176 Base-Backbone interact. energy: -0.862 local terms energy: -28.638349 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -5.214 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -96.937210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.937210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.937210 (E_RNA) where: Base-Base interactions energy: -64.759 where: short stacking energy: -31.074 Base-Backbone interact. energy: -0.000 local terms energy: -32.178022 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.628 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: 9, replica: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -49.751139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.751139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.751139 (E_RNA) where: Base-Base interactions energy: -22.071 where: short stacking energy: -10.831 Base-Backbone interact. energy: 0.092 local terms energy: -27.771494 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -59.114918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.114918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.114918 (E_RNA) where: Base-Base interactions energy: -27.455 where: short stacking energy: -27.455 Base-Backbone interact. energy: -0.001 local terms energy: -31.659069 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -5.247 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: 1, replica: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -109.929798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.929798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.929798 (E_RNA) where: Base-Base interactions energy: -69.968 where: short stacking energy: -35.869 Base-Backbone interact. energy: -1.795 local terms energy: -38.166864 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -8.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -108.908217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.908217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.908217 (E_RNA) where: Base-Base interactions energy: -72.561 where: short stacking energy: -36.726 Base-Backbone interact. energy: -0.633 local terms energy: -35.714519 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -5.150 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: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -106.877231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.877231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.877231 (E_RNA) where: Base-Base interactions energy: -69.150 where: short stacking energy: -34.052 Base-Backbone interact. energy: -0.519 local terms energy: -37.207453 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -9.287 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -6.289 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: 258 Temperature: 1.050000 Total energy: -105.989357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.989357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.989357 (E_RNA) where: Base-Base interactions energy: -69.425 where: short stacking energy: -33.535 Base-Backbone interact. energy: -0.266 local terms energy: -36.298002 where: bonds (distance) C4'-P energy: -8.407 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -8.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -98.533548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.533548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.533548 (E_RNA) where: Base-Base interactions energy: -63.479 where: short stacking energy: -29.331 Base-Backbone interact. energy: -1.023 local terms energy: -34.031754 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -6.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -98.089578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.089578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.089578 (E_RNA) where: Base-Base interactions energy: -66.191 where: short stacking energy: -32.088 Base-Backbone interact. energy: -0.586 local terms energy: -31.313019 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -5.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -98.437108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.437108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.437108 (E_RNA) where: Base-Base interactions energy: -62.261 where: short stacking energy: -27.602 Base-Backbone interact. energy: -1.087 local terms energy: -35.088931 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -8.356 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -84.660121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.660121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.660121 (E_RNA) where: Base-Base interactions energy: -54.974 where: short stacking energy: -24.120 Base-Backbone interact. energy: 0.235 local terms energy: -29.921114 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -2.988 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: 4 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -69.848470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.848470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.848470 (E_RNA) where: Base-Base interactions energy: -34.808 where: short stacking energy: -23.052 Base-Backbone interact. energy: -0.044 local terms energy: -34.996851 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.804 flat angles P-C4'-P energy: -6.490 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -45.882430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.882430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.882430 (E_RNA) where: Base-Base interactions energy: -16.817 where: short stacking energy: -16.817 Base-Backbone interact. energy: -0.032 local terms energy: -29.033482 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -2.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -110.319076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.319076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.319076 (E_RNA) where: Base-Base interactions energy: -71.610 where: short stacking energy: -35.002 Base-Backbone interact. energy: -1.071 local terms energy: -37.637136 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -6.026 tors. eta vs tors. theta energy: -8.476 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: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -109.340874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.340874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.340874 (E_RNA) where: Base-Base interactions energy: -72.966 where: short stacking energy: -35.300 Base-Backbone interact. energy: -0.526 local terms energy: -35.849032 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -6.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -105.633354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.633354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.633354 (E_RNA) where: Base-Base interactions energy: -68.711 where: short stacking energy: -34.253 Base-Backbone interact. energy: -0.192 local terms energy: -36.730654 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.759 flat angles P-C4'-P energy: -7.044 tors. eta vs tors. theta energy: -5.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -108.513975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.513975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.513975 (E_RNA) where: Base-Base interactions energy: -70.775 where: short stacking energy: -35.340 Base-Backbone interact. energy: -0.729 local terms energy: -37.009572 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -5.599 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: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -103.252109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.252109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.252109 (E_RNA) where: Base-Base interactions energy: -69.109 where: short stacking energy: -35.731 Base-Backbone interact. energy: -2.188 local terms energy: -31.955732 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -5.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -96.366784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.366784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.366784 (E_RNA) where: Base-Base interactions energy: -64.840 where: short stacking energy: -30.408 Base-Backbone interact. energy: -1.593 local terms energy: -29.933739 where: bonds (distance) C4'-P energy: -3.543 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -9.345 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -102.001896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.001896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.001896 (E_RNA) where: Base-Base interactions energy: -68.234 where: short stacking energy: -32.127 Base-Backbone interact. energy: -0.005 local terms energy: -33.762733 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.535 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -6.298 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: 259 Temperature: 1.250000 Total energy: -58.108487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.108487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.108487 (E_RNA) where: Base-Base interactions energy: -27.650 where: short stacking energy: -23.718 Base-Backbone interact. energy: -0.055 local terms energy: -30.402672 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -5.091 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -5.362 tors. eta vs tors. theta energy: -4.736 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: 6 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -62.002516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.002516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.002516 (E_RNA) where: Base-Base interactions energy: -34.178 where: short stacking energy: -17.834 Base-Backbone interact. energy: -0.085 local terms energy: -27.739843 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -6.220 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -2.613 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: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -58.788562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.788562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.788562 (E_RNA) where: Base-Base interactions energy: -31.724 where: short stacking energy: -28.396 Base-Backbone interact. energy: -0.189 local terms energy: -26.875786 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -6.720 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -4.400 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: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -113.021620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.021620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.021620 (E_RNA) where: Base-Base interactions energy: -72.179 where: short stacking energy: -37.810 Base-Backbone interact. energy: -0.544 local terms energy: -40.298727 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -7.575 tors. eta vs tors. theta energy: -7.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -111.811681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.811681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.811681 (E_RNA) where: Base-Base interactions energy: -71.150 where: short stacking energy: -35.557 Base-Backbone interact. energy: -1.301 local terms energy: -39.360943 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.663 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -7.573 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: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -100.801765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.801765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.801765 (E_RNA) where: Base-Base interactions energy: -74.436 where: short stacking energy: -32.516 Base-Backbone interact. energy: -0.003 local terms energy: -26.363311 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: 0.502 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: 4, replica: 9 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -106.339584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.339584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.339584 (E_RNA) where: Base-Base interactions energy: -69.101 where: short stacking energy: -34.285 Base-Backbone interact. energy: -1.344 local terms energy: -35.894217 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -6.047 tors. eta vs tors. theta energy: -7.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -104.174962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.174962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.174962 (E_RNA) where: Base-Base interactions energy: -69.105 where: short stacking energy: -26.436 Base-Backbone interact. energy: -0.227 local terms energy: -34.842999 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -3.282 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: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -102.253760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.253760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.253760 (E_RNA) where: Base-Base interactions energy: -68.056 where: short stacking energy: -34.014 Base-Backbone interact. energy: -1.026 local terms energy: -33.171867 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -5.340 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: 5 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -86.387221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.387221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.387221 (E_RNA) where: Base-Base interactions energy: -63.593 where: short stacking energy: -26.040 Base-Backbone interact. energy: -0.064 local terms energy: -22.729884 where: bonds (distance) C4'-P energy: -6.639 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: 2.595 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -47.684890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.684890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.684890 (E_RNA) where: Base-Base interactions energy: -20.706 where: short stacking energy: -20.706 Base-Backbone interact. energy: -0.000 local terms energy: -26.978490 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -4.531 flat angles C4'-P-C4' energy: -7.656 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -52.398977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.398977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.398977 (E_RNA) where: Base-Base interactions energy: -21.700 where: short stacking energy: -19.000 Base-Backbone interact. energy: -0.078 local terms energy: -30.620872 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -7.066 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -5.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -48.123217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.123217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.123217 (E_RNA) where: Base-Base interactions energy: -30.653 where: short stacking energy: -15.770 Base-Backbone interact. energy: -0.008 local terms energy: -17.462557 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -4.770 flat angles C4'-P-C4' energy: -3.075 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: 2.067 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: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -112.764198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.764198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.764198 (E_RNA) where: Base-Base interactions energy: -74.274 where: short stacking energy: -37.312 Base-Backbone interact. energy: -1.397 local terms energy: -37.092560 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -7.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -107.980631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.980631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.980631 (E_RNA) where: Base-Base interactions energy: -73.854 where: short stacking energy: -36.422 Base-Backbone interact. energy: -1.045 local terms energy: -33.081854 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -7.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -109.112096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.112096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.112096 (E_RNA) where: Base-Base interactions energy: -77.494 where: short stacking energy: -34.732 Base-Backbone interact. energy: -0.422 local terms energy: -31.195437 where: bonds (distance) C4'-P energy: -6.507 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -8.378 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -7.020 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: 10 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -104.380590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.380590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.380590 (E_RNA) where: Base-Base interactions energy: -66.891 where: short stacking energy: -35.390 Base-Backbone interact. energy: -0.026 local terms energy: -37.463362 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -7.140 tors. eta vs tors. theta energy: -7.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -99.205217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.205217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.205217 (E_RNA) where: Base-Base interactions energy: -63.726 where: short stacking energy: -29.850 Base-Backbone interact. energy: -2.427 local terms energy: -33.051504 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -6.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -97.519008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.519008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.519008 (E_RNA) where: Base-Base interactions energy: -65.000 where: short stacking energy: -27.673 Base-Backbone interact. energy: -0.150 local terms energy: -32.368326 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -5.139 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: 7, replica: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -59.595623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.595623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.595623 (E_RNA) where: Base-Base interactions energy: -26.164 where: short stacking energy: -26.164 Base-Backbone interact. energy: -0.008 local terms energy: -33.423952 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -58.393058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.393058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.393058 (E_RNA) where: Base-Base interactions energy: -26.171 where: short stacking energy: -26.171 Base-Backbone interact. energy: -0.028 local terms energy: -32.194212 where: bonds (distance) C4'-P energy: -3.597 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -4.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -56.283363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.283363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.283363 (E_RNA) where: Base-Base interactions energy: -26.909 where: short stacking energy: -18.279 Base-Backbone interact. energy: -0.064 local terms energy: -29.310863 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -56.710374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.710374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.710374 (E_RNA) where: Base-Base interactions energy: -29.334 where: short stacking energy: -14.524 Base-Backbone interact. energy: -0.002 local terms energy: -27.374729 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -4.755 flat angles C4'-P-C4' energy: -9.482 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -110.568705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.568705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.568705 (E_RNA) where: Base-Base interactions energy: -73.855 where: short stacking energy: -36.682 Base-Backbone interact. energy: -1.049 local terms energy: -35.663825 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -6.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -108.058409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.058409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.058409 (E_RNA) where: Base-Base interactions energy: -69.780 where: short stacking energy: -33.945 Base-Backbone interact. energy: -0.043 local terms energy: -38.235123 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -6.575 tors. eta vs tors. theta energy: -8.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -106.778177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.778177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.778177 (E_RNA) where: Base-Base interactions energy: -76.192 where: short stacking energy: -34.577 Base-Backbone interact. energy: -0.333 local terms energy: -30.252795 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.149 flat angles P-C4'-P energy: -2.746 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -105.513110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.513110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.513110 (E_RNA) where: Base-Base interactions energy: -68.855 where: short stacking energy: -35.361 Base-Backbone interact. energy: -1.570 local terms energy: -35.088321 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -5.829 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: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -75.288957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.288957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.288957 (E_RNA) where: Base-Base interactions energy: -35.920 where: short stacking energy: -35.920 Base-Backbone interact. energy: -0.000 local terms energy: -39.369257 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: -8.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -98.847510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.847510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.847510 (E_RNA) where: Base-Base interactions energy: -67.489 where: short stacking energy: -33.664 Base-Backbone interact. energy: -0.178 local terms energy: -31.180323 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -7.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -65.736625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.736625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.736625 (E_RNA) where: Base-Base interactions energy: -37.713 where: short stacking energy: -20.205 Base-Backbone interact. energy: -0.242 local terms energy: -27.781618 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -3.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -53.048909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.048909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.048909 (E_RNA) where: Base-Base interactions energy: -26.760 where: short stacking energy: -26.760 Base-Backbone interact. energy: -0.006 local terms energy: -26.282619 where: bonds (distance) C4'-P energy: -5.610 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -58.765312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.765312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.765312 (E_RNA) where: Base-Base interactions energy: -25.466 where: short stacking energy: -19.001 Base-Backbone interact. energy: -0.101 local terms energy: -33.198159 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -6.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -54.888504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.888504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.888504 (E_RNA) where: Base-Base interactions energy: -28.803 where: short stacking energy: -24.186 Base-Backbone interact. energy: -0.069 local terms energy: -26.016232 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -1.841 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: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -112.160630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.160630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.160630 (E_RNA) where: Base-Base interactions energy: -71.671 where: short stacking energy: -35.298 Base-Backbone interact. energy: 0.674 local terms energy: -41.163867 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -7.887 tors. eta vs tors. theta energy: -6.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -107.841853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.841853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.841853 (E_RNA) where: Base-Base interactions energy: -69.752 where: short stacking energy: -35.422 Base-Backbone interact. energy: -0.636 local terms energy: -37.452936 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -7.015 tors. eta vs tors. theta energy: -6.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -105.678813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.678813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.678813 (E_RNA) where: Base-Base interactions energy: -69.169 where: short stacking energy: -33.952 Base-Backbone interact. energy: -0.741 local terms energy: -35.768406 where: bonds (distance) C4'-P energy: -7.215 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -8.708 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -58.969459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.969459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.969459 (E_RNA) where: Base-Base interactions energy: -27.827 where: short stacking energy: -23.139 Base-Backbone interact. energy: -0.126 local terms energy: -31.016237 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -6.801 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: 5, replica: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -103.533290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.533290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.533290 (E_RNA) where: Base-Base interactions energy: -67.786 where: short stacking energy: -34.381 Base-Backbone interact. energy: -0.024 local terms energy: -35.723042 where: bonds (distance) C4'-P energy: -7.190 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: -5.215 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: 9 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -102.280648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.280648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.280648 (E_RNA) where: Base-Base interactions energy: -72.511 where: short stacking energy: -30.558 Base-Backbone interact. energy: -0.243 local terms energy: -29.526495 where: bonds (distance) C4'-P energy: -5.875 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -6.485 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: 1 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -64.905766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.905766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.905766 (E_RNA) where: Base-Base interactions energy: -31.859 where: short stacking energy: -28.955 Base-Backbone interact. energy: -0.232 local terms energy: -32.814454 where: bonds (distance) C4'-P energy: -5.836 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -5.381 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: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -56.328230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.328230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.328230 (E_RNA) where: Base-Base interactions energy: -25.893 where: short stacking energy: -20.015 Base-Backbone interact. energy: -0.259 local terms energy: -30.176737 where: bonds (distance) C4'-P energy: -3.737 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -3.243 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: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -55.391966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.391966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.391966 (E_RNA) where: Base-Base interactions energy: -21.727 where: short stacking energy: -21.727 Base-Backbone interact. energy: -0.085 local terms energy: -33.580082 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -4.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -46.255789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.255789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.255789 (E_RNA) where: Base-Base interactions energy: -19.362 where: short stacking energy: -19.362 Base-Backbone interact. energy: -0.002 local terms energy: -26.892134 where: bonds (distance) C4'-P energy: -6.059 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -2.220 flat angles P-C4'-P energy: -5.737 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: 1, replica: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -109.763958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.763958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.763958 (E_RNA) where: Base-Base interactions energy: -74.789 where: short stacking energy: -37.654 Base-Backbone interact. energy: -0.392 local terms energy: -34.582813 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -5.273 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: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -103.421630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.421630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.421630 (E_RNA) where: Base-Base interactions energy: -68.112 where: short stacking energy: -30.904 Base-Backbone interact. energy: 0.576 local terms energy: -35.885217 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -6.801 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -104.085219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.085219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.085219 (E_RNA) where: Base-Base interactions energy: -78.306 where: short stacking energy: -28.446 Base-Backbone interact. energy: -0.755 local terms energy: -25.023641 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -2.754 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -72.536397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.536397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.536397 (E_RNA) where: Base-Base interactions energy: -38.790 where: short stacking energy: -24.907 Base-Backbone interact. energy: -0.041 local terms energy: -33.705301 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -95.418262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.418262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.418262 (E_RNA) where: Base-Base interactions energy: -64.723 where: short stacking energy: -20.919 Base-Backbone interact. energy: -0.040 local terms energy: -30.655143 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -0.609 tors. eta vs tors. theta energy: -6.274 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: 9 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -103.456942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.456942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.456942 (E_RNA) where: Base-Base interactions energy: -67.357 where: short stacking energy: -34.822 Base-Backbone interact. energy: -0.132 local terms energy: -35.968793 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -7.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -67.286798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.286798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.286798 (E_RNA) where: Base-Base interactions energy: -38.434 where: short stacking energy: -17.395 Base-Backbone interact. energy: -2.130 local terms energy: -26.723294 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -3.696 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: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -75.745108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.745108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.745108 (E_RNA) where: Base-Base interactions energy: -46.579 where: short stacking energy: -20.784 Base-Backbone interact. energy: -0.174 local terms energy: -28.992439 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.337 flat angles P-C4'-P energy: -2.823 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: 9, replica: 4 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -53.852564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.852564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.852564 (E_RNA) where: Base-Base interactions energy: -23.185 where: short stacking energy: -23.185 Base-Backbone interact. energy: -0.095 local terms energy: -30.573265 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -6.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -47.631768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.631768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.631768 (E_RNA) where: Base-Base interactions energy: -24.634 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.106 local terms energy: -22.891059 where: bonds (distance) C4'-P energy: -7.617 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -2.810 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: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -109.709927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.709927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.709927 (E_RNA) where: Base-Base interactions energy: -70.765 where: short stacking energy: -35.331 Base-Backbone interact. energy: -1.175 local terms energy: -37.770234 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -4.144 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: 2, replica: 8 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -106.526324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.526324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.526324 (E_RNA) where: Base-Base interactions energy: -70.574 where: short stacking energy: -35.053 Base-Backbone interact. energy: -0.006 local terms energy: -35.946050 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -5.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -112.520923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.520923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.520923 (E_RNA) where: Base-Base interactions energy: -74.730 where: short stacking energy: -37.983 Base-Backbone interact. energy: -0.616 local terms energy: -37.174389 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -5.704 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: 4, replica: 10 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -97.122409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.122409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.122409 (E_RNA) where: Base-Base interactions energy: -67.161 where: short stacking energy: -36.220 Base-Backbone interact. energy: -0.004 local terms energy: -29.957235 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -6.926 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: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -62.398959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.398959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.398959 (E_RNA) where: Base-Base interactions energy: -31.878 where: short stacking energy: -31.878 Base-Backbone interact. energy: -0.050 local terms energy: -30.470086 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -6.684 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -4.515 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: 6, replica: 9 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -95.829697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.829697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.829697 (E_RNA) where: Base-Base interactions energy: -62.290 where: short stacking energy: -34.169 Base-Backbone interact. energy: -0.013 local terms energy: -33.526640 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -4.956 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: 6 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -63.659704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.659704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.659704 (E_RNA) where: Base-Base interactions energy: -33.165 where: short stacking energy: -18.827 Base-Backbone interact. energy: -0.962 local terms energy: -29.533421 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -7.103 flat angles P-C4'-P energy: -5.079 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: 265 Temperature: 1.250000 Total energy: -58.313908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.313908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.313908 (E_RNA) where: Base-Base interactions energy: -29.458 where: short stacking energy: -29.458 Base-Backbone interact. energy: -0.077 local terms energy: -28.778667 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -4.120 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: 9, replica: 1 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -53.846648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.846648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.846648 (E_RNA) where: Base-Base interactions energy: -23.234 where: short stacking energy: -23.234 Base-Backbone interact. energy: -0.230 local terms energy: -30.381979 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -6.468 flat angles C4'-P-C4' energy: -6.404 flat angles P-C4'-P energy: -7.291 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: 10, replica: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -46.699422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.699422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.699422 (E_RNA) where: Base-Base interactions energy: -20.719 where: short stacking energy: -20.719 Base-Backbone interact. energy: -0.088 local terms energy: -25.892675 where: bonds (distance) C4'-P energy: -4.577 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -106.671309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.671309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.671309 (E_RNA) where: Base-Base interactions energy: -69.574 where: short stacking energy: -35.772 Base-Backbone interact. energy: -0.012 local terms energy: -37.084657 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -5.531 tors. eta vs tors. theta energy: -6.121 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: 266 Temperature: 0.950000 Total energy: -107.965283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.965283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.965283 (E_RNA) where: Base-Base interactions energy: -70.947 where: short stacking energy: -34.342 Base-Backbone interact. energy: -0.015 local terms energy: -37.003092 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -7.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -109.790133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.790133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.790133 (E_RNA) where: Base-Base interactions energy: -71.293 where: short stacking energy: -35.848 Base-Backbone interact. energy: -0.002 local terms energy: -38.495674 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.939 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -9.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -106.587619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.587619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.587619 (E_RNA) where: Base-Base interactions energy: -69.895 where: short stacking energy: -33.335 Base-Backbone interact. energy: -0.294 local terms energy: -36.399201 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -6.799 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -6.681 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: 5, replica: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -103.691801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.691801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.691801 (E_RNA) where: Base-Base interactions energy: -70.412 where: short stacking energy: -36.099 Base-Backbone interact. energy: -0.702 local terms energy: -32.577831 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -5.665 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -7.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -65.912912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.912912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.912912 (E_RNA) where: Base-Base interactions energy: -33.523 where: short stacking energy: -33.523 Base-Backbone interact. energy: -0.001 local terms energy: -32.389359 where: bonds (distance) C4'-P energy: -6.755 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -7.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -61.100041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.100041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.100041 (E_RNA) where: Base-Base interactions energy: -29.628 where: short stacking energy: -29.628 Base-Backbone interact. energy: -0.003 local terms energy: -31.468506 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -5.145 flat angles C4'-P-C4' energy: -8.721 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -59.885451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.885451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.885451 (E_RNA) where: Base-Base interactions energy: -27.644 where: short stacking energy: -27.644 Base-Backbone interact. energy: -0.006 local terms energy: -32.234990 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -2.188 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -47.653435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.653435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.653435 (E_RNA) where: Base-Base interactions energy: -19.708 where: short stacking energy: -19.708 Base-Backbone interact. energy: -0.016 local terms energy: -27.929481 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -55.447284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.447284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.447284 (E_RNA) where: Base-Base interactions energy: -27.794 where: short stacking energy: -20.219 Base-Backbone interact. energy: -0.055 local terms energy: -27.597560 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.593 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -106.884708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.884708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.884708 (E_RNA) where: Base-Base interactions energy: -72.013 where: short stacking energy: -36.385 Base-Backbone interact. energy: -0.002 local terms energy: -34.869424 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -5.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -107.861692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.861692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.861692 (E_RNA) where: Base-Base interactions energy: -70.194 where: short stacking energy: -36.956 Base-Backbone interact. energy: -0.019 local terms energy: -37.648869 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -5.854 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: 3, replica: 10 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -113.137826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.137826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.137826 (E_RNA) where: Base-Base interactions energy: -79.400 where: short stacking energy: -28.950 Base-Backbone interact. energy: -0.009 local terms energy: -33.728366 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -2.262 tors. eta vs tors. theta energy: -7.327 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: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -106.356575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.356575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.356575 (E_RNA) where: Base-Base interactions energy: -70.256 where: short stacking energy: -32.371 Base-Backbone interact. energy: -0.404 local terms energy: -35.696014 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: -7.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -105.946195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.946195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.946195 (E_RNA) where: Base-Base interactions energy: -70.568 where: short stacking energy: -35.128 Base-Backbone interact. energy: -1.547 local terms energy: -33.830503 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -6.975 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: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -59.823797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.823797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.823797 (E_RNA) where: Base-Base interactions energy: -35.781 where: short stacking energy: -17.525 Base-Backbone interact. energy: -0.004 local terms energy: -24.039118 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: 0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -60.032160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.032160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.032160 (E_RNA) where: Base-Base interactions energy: -29.032 where: short stacking energy: -29.032 Base-Backbone interact. energy: -0.000 local terms energy: -30.999909 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -2.213 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -5.577 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: 8, replica: 5 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -82.464228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.464228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.464228 (E_RNA) where: Base-Base interactions energy: -56.633 where: short stacking energy: -26.479 Base-Backbone interact. energy: -0.130 local terms energy: -25.701251 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -1.099 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -54.859704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.859704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.859704 (E_RNA) where: Base-Base interactions energy: -24.410 where: short stacking energy: -24.410 Base-Backbone interact. energy: 0.491 local terms energy: -30.940294 where: bonds (distance) C4'-P energy: -3.855 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -5.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -58.104468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.104468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.104468 (E_RNA) where: Base-Base interactions energy: -29.168 where: short stacking energy: -29.168 Base-Backbone interact. energy: -0.059 local terms energy: -28.876920 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -5.891 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: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -101.698555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.698555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.698555 (E_RNA) where: Base-Base interactions energy: -64.491 where: short stacking energy: -30.165 Base-Backbone interact. energy: -0.514 local terms energy: -36.692983 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -6.831 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: 2, replica: 8 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -106.763617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.763617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.763617 (E_RNA) where: Base-Base interactions energy: -71.602 where: short stacking energy: -35.430 Base-Backbone interact. energy: -0.055 local terms energy: -35.106753 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -7.952 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: 3, replica: 10 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -104.891698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.891698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.891698 (E_RNA) where: Base-Base interactions energy: -72.116 where: short stacking energy: -36.625 Base-Backbone interact. energy: -0.007 local terms energy: -32.769487 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -5.114 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: 4, replica: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -104.110535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.110535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.110535 (E_RNA) where: Base-Base interactions energy: -68.530 where: short stacking energy: -34.452 Base-Backbone interact. energy: -1.475 local terms energy: -34.106385 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -7.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -98.676335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.676335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.676335 (E_RNA) where: Base-Base interactions energy: -67.537 where: short stacking energy: -32.669 Base-Backbone interact. energy: 0.874 local terms energy: -32.013409 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -5.556 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: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -58.462029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.462029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.462029 (E_RNA) where: Base-Base interactions energy: -28.129 where: short stacking energy: -28.129 Base-Backbone interact. energy: -0.009 local terms energy: -30.324823 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -0.944 tors. eta vs tors. theta energy: -8.218 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: 5 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -85.892877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.892877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.892877 (E_RNA) where: Base-Base interactions energy: -57.772 where: short stacking energy: -27.547 Base-Backbone interact. energy: -0.288 local terms energy: -27.833103 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -62.714411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.714411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.714411 (E_RNA) where: Base-Base interactions energy: -35.350 where: short stacking energy: -12.121 Base-Backbone interact. energy: 0.054 local terms energy: -27.418082 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -3.104 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: 9, replica: 1 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -50.980916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.980916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.980916 (E_RNA) where: Base-Base interactions energy: -23.196 where: short stacking energy: -23.196 Base-Backbone interact. energy: -0.000 local terms energy: -27.784957 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -3.724 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: 10, replica: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -58.442328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.442328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.442328 (E_RNA) where: Base-Base interactions energy: -31.073 where: short stacking energy: -21.227 Base-Backbone interact. energy: -0.002 local terms energy: -27.366967 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -5.932 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -101.510583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.510583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.510583 (E_RNA) where: Base-Base interactions energy: -66.718 where: short stacking energy: -29.780 Base-Backbone interact. energy: -0.536 local terms energy: -34.256275 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -8.701 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -5.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -97.171063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.171063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.171063 (E_RNA) where: Base-Base interactions energy: -64.002 where: short stacking energy: -27.610 Base-Backbone interact. energy: -0.702 local terms energy: -32.467087 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -97.116516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.116516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.116516 (E_RNA) where: Base-Base interactions energy: -70.658 where: short stacking energy: -31.356 Base-Backbone interact. energy: 0.093 local terms energy: -26.551836 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.700 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: 4, replica: 9 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -104.572915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.572915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.572915 (E_RNA) where: Base-Base interactions energy: -68.526 where: short stacking energy: -33.024 Base-Backbone interact. energy: -1.383 local terms energy: -34.664121 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -6.277 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: 3 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -95.781741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.781741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.781741 (E_RNA) where: Base-Base interactions energy: -65.610 where: short stacking energy: -30.120 Base-Backbone interact. energy: -0.001 local terms energy: -30.170590 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -68.336137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.336137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.336137 (E_RNA) where: Base-Base interactions energy: -34.060 where: short stacking energy: -34.060 Base-Backbone interact. energy: -0.002 local terms energy: -34.273879 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -9.178 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -6.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -54.095263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.095263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.095263 (E_RNA) where: Base-Base interactions energy: -25.504 where: short stacking energy: -25.504 Base-Backbone interact. energy: -0.002 local terms energy: -28.589250 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -2.309 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: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -49.877168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.877168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.877168 (E_RNA) where: Base-Base interactions energy: -25.041 where: short stacking energy: -25.041 Base-Backbone interact. energy: -0.234 local terms energy: -24.602109 where: bonds (distance) C4'-P energy: -2.251 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -3.787 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: 269 Temperature: 1.300000 Total energy: -52.787645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.787645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.787645 (E_RNA) where: Base-Base interactions energy: -25.307 where: short stacking energy: -25.307 Base-Backbone interact. energy: -0.099 local terms energy: -27.381411 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -4.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -56.934468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.934468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.934468 (E_RNA) where: Base-Base interactions energy: -29.998 where: short stacking energy: -11.186 Base-Backbone interact. energy: -0.027 local terms energy: -26.909534 where: bonds (distance) C4'-P energy: -7.066 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: 0.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -107.390981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.390981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.390981 (E_RNA) where: Base-Base interactions energy: -73.021 where: short stacking energy: -34.953 Base-Backbone interact. energy: -0.509 local terms energy: -33.860055 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -6.304 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -106.501148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.501148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.501148 (E_RNA) where: Base-Base interactions energy: -70.474 where: short stacking energy: -35.912 Base-Backbone interact. energy: -0.024 local terms energy: -36.003088 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -7.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -106.404586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.404586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.404586 (E_RNA) where: Base-Base interactions energy: -70.895 where: short stacking energy: -35.531 Base-Backbone interact. energy: -0.001 local terms energy: -35.508949 where: bonds (distance) C4'-P energy: -6.687 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -7.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -106.147069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.147069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.147069 (E_RNA) where: Base-Base interactions energy: -69.662 where: short stacking energy: -36.493 Base-Backbone interact. energy: -1.020 local terms energy: -35.464658 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -4.210 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: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -63.995742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.995742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.995742 (E_RNA) where: Base-Base interactions energy: -35.175 where: short stacking energy: -23.000 Base-Backbone interact. energy: 0.016 local terms energy: -28.836280 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -88.891276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.891276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.891276 (E_RNA) where: Base-Base interactions energy: -57.894 where: short stacking energy: -25.815 Base-Backbone interact. energy: -0.042 local terms energy: -30.955787 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -2.000 tors. eta vs tors. theta energy: -6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -68.812506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.812506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.812506 (E_RNA) where: Base-Base interactions energy: -37.192 where: short stacking energy: -25.691 Base-Backbone interact. energy: -0.044 local terms energy: -31.576139 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -5.201 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: 270 Temperature: 1.250000 Total energy: -60.041348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.041348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.041348 (E_RNA) where: Base-Base interactions energy: -28.901 where: short stacking energy: -28.901 Base-Backbone interact. energy: -0.006 local terms energy: -31.133829 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -5.434 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -3.433 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: 6 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -61.450904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.450904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.450904 (E_RNA) where: Base-Base interactions energy: -29.384 where: short stacking energy: -27.491 Base-Backbone interact. energy: -0.001 local terms energy: -32.066295 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -48.136576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.136576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.136576 (E_RNA) where: Base-Base interactions energy: -23.563 where: short stacking energy: -14.811 Base-Backbone interact. energy: -0.034 local terms energy: -24.539162 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -7.200 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -6.124 tors. eta vs tors. theta energy: 0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -110.936523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.936523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.936523 (E_RNA) where: Base-Base interactions energy: -71.450 where: short stacking energy: -36.155 Base-Backbone interact. energy: -0.055 local terms energy: -39.431606 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -9.089 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -7.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -107.216097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.216097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.216097 (E_RNA) where: Base-Base interactions energy: -68.946 where: short stacking energy: -32.564 Base-Backbone interact. energy: -1.761 local terms energy: -36.509640 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -5.206 tors. eta vs tors. theta energy: -8.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -105.151437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.151437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.151437 (E_RNA) where: Base-Base interactions energy: -70.057 where: short stacking energy: -33.309 Base-Backbone interact. energy: -1.364 local terms energy: -33.729571 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -5.789 tors. eta vs tors. theta energy: -6.257 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: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -109.771545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.771545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.771545 (E_RNA) where: Base-Base interactions energy: -70.996 where: short stacking energy: -35.028 Base-Backbone interact. energy: -1.265 local terms energy: -37.510403 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -5.187 flat angles C4'-P-C4' energy: -9.393 flat angles P-C4'-P energy: -6.822 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: 5, replica: 5 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -77.185270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.185270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.185270 (E_RNA) where: Base-Base interactions energy: -45.124 where: short stacking energy: -29.589 Base-Backbone interact. energy: -0.350 local terms energy: -31.710835 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -4.838 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: 6, replica: 1 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -59.730308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.730308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.730308 (E_RNA) where: Base-Base interactions energy: -29.847 where: short stacking energy: -25.211 Base-Backbone interact. energy: -0.183 local terms energy: -29.700700 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -0.892 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: 7, replica: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -56.964123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.964123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.964123 (E_RNA) where: Base-Base interactions energy: -27.948 where: short stacking energy: -15.600 Base-Backbone interact. energy: -0.081 local terms energy: -28.934983 where: bonds (distance) C4'-P energy: -5.451 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -3.366 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: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -52.545955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.545955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.545955 (E_RNA) where: Base-Base interactions energy: -26.456 where: short stacking energy: -26.456 Base-Backbone interact. energy: -0.125 local terms energy: -25.964073 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -54.736508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.736508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.736508 (E_RNA) where: Base-Base interactions energy: -23.810 where: short stacking energy: -23.810 Base-Backbone interact. energy: -0.000 local terms energy: -30.926951 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -0.891 tors. eta vs tors. theta energy: -5.343 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: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -48.155136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.155136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.155136 (E_RNA) where: Base-Base interactions energy: -25.968 where: short stacking energy: -25.968 Base-Backbone interact. energy: -0.071 local terms energy: -22.115851 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -5.457 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -113.088546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.088546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.088546 (E_RNA) where: Base-Base interactions energy: -74.339 where: short stacking energy: -37.506 Base-Backbone interact. energy: -0.738 local terms energy: -38.012376 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -6.495 tors. eta vs tors. theta energy: -7.794 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: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -117.779423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.779423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.779423 (E_RNA) where: Base-Base interactions energy: -82.850 where: short stacking energy: -35.704 Base-Backbone interact. energy: -0.255 local terms energy: -34.674624 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -2.450 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: 3, replica: 10 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -103.269029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.269029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.269029 (E_RNA) where: Base-Base interactions energy: -66.154 where: short stacking energy: -34.390 Base-Backbone interact. energy: -0.022 local terms energy: -37.093395 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -5.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -101.649527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.649527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.649527 (E_RNA) where: Base-Base interactions energy: -66.461 where: short stacking energy: -29.451 Base-Backbone interact. energy: -0.347 local terms energy: -34.841460 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -5.163 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: 1 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -63.625191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.625191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.625191 (E_RNA) where: Base-Base interactions energy: -27.238 where: short stacking energy: -27.238 Base-Backbone interact. energy: 0.293 local terms energy: -36.680613 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -5.120 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: 5 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -64.734174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.734174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.734174 (E_RNA) where: Base-Base interactions energy: -34.519 where: short stacking energy: -34.519 Base-Backbone interact. energy: -0.000 local terms energy: -30.214754 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.084 flat angles P-C4'-P energy: 1.282 tors. eta vs tors. theta energy: -8.068 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: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -89.588183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.588183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.588183 (E_RNA) where: Base-Base interactions energy: -65.311 where: short stacking energy: -27.654 Base-Backbone interact. energy: -0.245 local terms energy: -24.031729 where: bonds (distance) C4'-P energy: -1.822 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -5.921 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: 8, replica: 6 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -55.845668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.845668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.845668 (E_RNA) where: Base-Base interactions energy: -22.519 where: short stacking energy: -22.519 Base-Backbone interact. energy: -0.001 local terms energy: -33.325632 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -5.287 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: 272 Temperature: 1.300000 Total energy: -51.408175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.408175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.408175 (E_RNA) where: Base-Base interactions energy: -27.159 where: short stacking energy: -18.513 Base-Backbone interact. energy: 0.227 local terms energy: -24.476237 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: 1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -47.743630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.743630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.743630 (E_RNA) where: Base-Base interactions energy: -22.829 where: short stacking energy: -22.829 Base-Backbone interact. energy: -0.001 local terms energy: -24.913725 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -0.758 tors. eta vs tors. theta energy: -1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -108.424005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.424005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.424005 (E_RNA) where: Base-Base interactions energy: -71.648 where: short stacking energy: -36.518 Base-Backbone interact. energy: -2.021 local terms energy: -34.754776 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -5.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -109.874229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.874229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.874229 (E_RNA) where: Base-Base interactions energy: -70.588 where: short stacking energy: -34.788 Base-Backbone interact. energy: -1.471 local terms energy: -37.815436 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -7.323 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: 8 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -113.131637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.131637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.131637 (E_RNA) where: Base-Base interactions energy: -85.348 where: short stacking energy: -32.930 Base-Backbone interact. energy: -0.008 local terms energy: -27.774984 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -2.520 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: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -105.532581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.532581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.532581 (E_RNA) where: Base-Base interactions energy: -70.152 where: short stacking energy: -36.015 Base-Backbone interact. energy: -0.000 local terms energy: -35.380207 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -7.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -75.131013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.131013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.131013 (E_RNA) where: Base-Base interactions energy: -35.946 where: short stacking energy: -35.946 Base-Backbone interact. energy: -0.018 local terms energy: -39.167134 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.415 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: -8.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -101.682581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.682581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.682581 (E_RNA) where: Base-Base interactions energy: -70.086 where: short stacking energy: -28.390 Base-Backbone interact. energy: -0.316 local terms energy: -31.279919 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -55.304891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.304891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.304891 (E_RNA) where: Base-Base interactions energy: -27.842 where: short stacking energy: -27.842 Base-Backbone interact. energy: -0.029 local terms energy: -27.433565 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -5.016 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -50.164107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.164107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.164107 (E_RNA) where: Base-Base interactions energy: -21.399 where: short stacking energy: -21.399 Base-Backbone interact. energy: -0.002 local terms energy: -28.763236 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -5.732 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -55.461898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.461898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.461898 (E_RNA) where: Base-Base interactions energy: -28.728 where: short stacking energy: -13.334 Base-Backbone interact. energy: -0.017 local terms energy: -26.717012 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -6.004 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -55.004862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.004862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.004862 (E_RNA) where: Base-Base interactions energy: -24.973 where: short stacking energy: -24.973 Base-Backbone interact. energy: -0.001 local terms energy: -30.030853 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -5.443 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: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -113.077368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.077368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.077368 (E_RNA) where: Base-Base interactions energy: -86.875 where: short stacking energy: -35.499 Base-Backbone interact. energy: 0.667 local terms energy: -26.869386 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -7.769 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -0.906 tors. eta vs tors. theta energy: -5.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -108.616468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.616468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.616468 (E_RNA) where: Base-Base interactions energy: -73.248 where: short stacking energy: -37.228 Base-Backbone interact. energy: -1.609 local terms energy: -33.759867 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -107.793345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.793345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.793345 (E_RNA) where: Base-Base interactions energy: -71.808 where: short stacking energy: -37.637 Base-Backbone interact. energy: -0.740 local terms energy: -35.244974 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -6.966 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -7.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -105.220119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.220119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.220119 (E_RNA) where: Base-Base interactions energy: -69.339 where: short stacking energy: -36.156 Base-Backbone interact. energy: -1.081 local terms energy: -34.801011 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -5.841 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: 5, replica: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -104.621030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.621030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.621030 (E_RNA) where: Base-Base interactions energy: -69.716 where: short stacking energy: -34.134 Base-Backbone interact. energy: -1.135 local terms energy: -33.769796 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -5.769 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: 6, replica: 1 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -73.501078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.501078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.501078 (E_RNA) where: Base-Base interactions energy: -41.706 where: short stacking energy: -30.482 Base-Backbone interact. energy: 1.643 local terms energy: -33.437399 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -61.270057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.270057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.270057 (E_RNA) where: Base-Base interactions energy: -29.983 where: short stacking energy: -29.983 Base-Backbone interact. energy: -0.003 local terms energy: -31.284015 where: bonds (distance) C4'-P energy: -4.347 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.230 flat angles P-C4'-P energy: -4.368 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: 8, replica: 5 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -61.400278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.400278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.400278 (E_RNA) where: Base-Base interactions energy: -28.783 where: short stacking energy: -28.783 Base-Backbone interact. energy: -0.000 local terms energy: -32.617203 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -5.823 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -5.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -63.388661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.388661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.388661 (E_RNA) where: Base-Base interactions energy: -34.681 where: short stacking energy: -24.465 Base-Backbone interact. energy: -0.099 local terms energy: -28.609474 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -2.513 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -64.285948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.285948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.285948 (E_RNA) where: Base-Base interactions energy: -39.028 where: short stacking energy: -20.436 Base-Backbone interact. energy: -0.089 local terms energy: -25.168611 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -4.123 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: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -111.190974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.190974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.190974 (E_RNA) where: Base-Base interactions energy: -80.985 where: short stacking energy: -36.338 Base-Backbone interact. energy: -0.161 local terms energy: -30.045857 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: 0.906 tors. eta vs tors. theta energy: -6.835 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: 9 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -100.753403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.753403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.753403 (E_RNA) where: Base-Base interactions energy: -66.411 where: short stacking energy: -31.640 Base-Backbone interact. energy: -0.958 local terms energy: -33.385171 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: -3.863 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: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -106.005536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.005536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.005536 (E_RNA) where: Base-Base interactions energy: -72.002 where: short stacking energy: -36.487 Base-Backbone interact. energy: 0.882 local terms energy: -34.884734 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -7.539 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: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -98.707615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.707615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.707615 (E_RNA) where: Base-Base interactions energy: -67.536 where: short stacking energy: -33.722 Base-Backbone interact. energy: -0.040 local terms energy: -31.131136 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -2.466 tors. eta vs tors. theta energy: -6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -100.019451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.019451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.019451 (E_RNA) where: Base-Base interactions energy: -68.562 where: short stacking energy: -33.377 Base-Backbone interact. energy: -0.114 local terms energy: -31.343580 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -6.084 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -6.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -75.337312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.337312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.337312 (E_RNA) where: Base-Base interactions energy: -41.853 where: short stacking energy: -28.883 Base-Backbone interact. energy: -0.089 local terms energy: -33.395337 where: bonds (distance) C4'-P energy: -8.011 bonds (distance) P-C4' energy: -6.964 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -7.074 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: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -52.162528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.162528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.162528 (E_RNA) where: Base-Base interactions energy: -21.905 where: short stacking energy: -21.905 Base-Backbone interact. energy: -0.000 local terms energy: -30.257700 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -51.877462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.877462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.877462 (E_RNA) where: Base-Base interactions energy: -19.509 where: short stacking energy: -19.509 Base-Backbone interact. energy: -0.040 local terms energy: -32.327944 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -5.639 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -55.320421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.320421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.320421 (E_RNA) where: Base-Base interactions energy: -26.702 where: short stacking energy: -23.038 Base-Backbone interact. energy: -0.084 local terms energy: -28.534701 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -53.770517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.770517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.770517 (E_RNA) where: Base-Base interactions energy: -30.139 where: short stacking energy: -23.950 Base-Backbone interact. energy: -0.064 local terms energy: -23.566983 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -3.043 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -102.997347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.997347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.997347 (E_RNA) where: Base-Base interactions energy: -67.472 where: short stacking energy: -33.948 Base-Backbone interact. energy: -0.563 local terms energy: -34.962719 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -5.916 tors. eta vs tors. theta energy: -7.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -109.683419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.683419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.683419 (E_RNA) where: Base-Base interactions energy: -76.654 where: short stacking energy: -34.986 Base-Backbone interact. energy: -0.078 local terms energy: -32.952254 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -7.255 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -6.392 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: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -107.347053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.347053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.347053 (E_RNA) where: Base-Base interactions energy: -76.624 where: short stacking energy: -29.557 Base-Backbone interact. energy: -0.034 local terms energy: -30.688922 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -1.663 tors. eta vs tors. theta energy: -6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -103.740428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.740428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.740428 (E_RNA) where: Base-Base interactions energy: -67.212 where: short stacking energy: -33.864 Base-Backbone interact. energy: -0.193 local terms energy: -36.336235 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -6.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -94.852270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.852270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.852270 (E_RNA) where: Base-Base interactions energy: -67.620 where: short stacking energy: -32.424 Base-Backbone interact. energy: -0.103 local terms energy: -27.129525 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -57.983491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.983491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.983491 (E_RNA) where: Base-Base interactions energy: -27.817 where: short stacking energy: -27.817 Base-Backbone interact. energy: -0.001 local terms energy: -30.166168 where: bonds (distance) C4'-P energy: -6.110 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -4.122 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: 276 Temperature: 1.200000 Total energy: -71.320562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.320562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.320562 (E_RNA) where: Base-Base interactions energy: -36.134 where: short stacking energy: -36.134 Base-Backbone interact. energy: -0.000 local terms energy: -35.186815 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -7.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -46.819986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.819986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.819986 (E_RNA) where: Base-Base interactions energy: -16.815 where: short stacking energy: -16.815 Base-Backbone interact. energy: -0.887 local terms energy: -29.117603 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -4.988 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: 9, replica: 6 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -43.789758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.789758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.789758 (E_RNA) where: Base-Base interactions energy: -14.808 where: short stacking energy: -14.808 Base-Backbone interact. energy: -0.026 local terms energy: -28.955398 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -53.996066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.996066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.996066 (E_RNA) where: Base-Base interactions energy: -28.012 where: short stacking energy: -24.619 Base-Backbone interact. energy: -0.024 local terms energy: -25.959632 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -1.883 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -5.809 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: 1, replica: 9 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -106.161600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.161600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.161600 (E_RNA) where: Base-Base interactions energy: -70.736 where: short stacking energy: -36.286 Base-Backbone interact. energy: -0.097 local terms energy: -35.327939 where: bonds (distance) C4'-P energy: -5.381 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.467 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: -7.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -110.848793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.848793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.848793 (E_RNA) where: Base-Base interactions energy: -70.358 where: short stacking energy: -33.690 Base-Backbone interact. energy: -0.509 local terms energy: -39.981653 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -8.026 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -7.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -105.986846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.986846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.986846 (E_RNA) where: Base-Base interactions energy: -69.199 where: short stacking energy: -34.493 Base-Backbone interact. energy: -0.595 local terms energy: -36.193139 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -7.257 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: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -106.220889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.220889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.220889 (E_RNA) where: Base-Base interactions energy: -71.593 where: short stacking energy: -35.113 Base-Backbone interact. energy: -0.008 local terms energy: -34.619741 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: -6.467 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: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -97.065046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.065046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.065046 (E_RNA) where: Base-Base interactions energy: -65.499 where: short stacking energy: -30.615 Base-Backbone interact. energy: -0.067 local terms energy: -31.499297 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -5.272 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -6.360 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -53.772726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.772726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.772726 (E_RNA) where: Base-Base interactions energy: -22.739 where: short stacking energy: -22.739 Base-Backbone interact. energy: -0.092 local terms energy: -30.941368 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -2.485 tors. eta vs tors. theta energy: -4.222 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: 7 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -65.381251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.381251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.381251 (E_RNA) where: Base-Base interactions energy: -37.964 where: short stacking energy: -30.728 Base-Backbone interact. energy: -0.462 local terms energy: -26.955144 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -6.773 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -2.677 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: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -52.325241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.325241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.325241 (E_RNA) where: Base-Base interactions energy: -23.554 where: short stacking energy: -23.554 Base-Backbone interact. energy: -0.113 local terms energy: -28.658337 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -3.366 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: 277 Temperature: 1.300000 Total energy: -55.124074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.124074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.124074 (E_RNA) where: Base-Base interactions energy: -24.164 where: short stacking energy: -24.164 Base-Backbone interact. energy: -0.000 local terms energy: -30.959899 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -7.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -47.780156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.780156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.780156 (E_RNA) where: Base-Base interactions energy: -22.078 where: short stacking energy: -22.078 Base-Backbone interact. energy: -0.025 local terms energy: -25.677290 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -0.136 tors. eta vs tors. theta energy: -6.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -111.663168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.663168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.663168 (E_RNA) where: Base-Base interactions energy: -72.773 where: short stacking energy: -35.652 Base-Backbone interact. energy: -1.656 local terms energy: -37.233897 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: -7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -108.353003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.353003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.353003 (E_RNA) where: Base-Base interactions energy: -70.131 where: short stacking energy: -35.482 Base-Backbone interact. energy: -2.405 local terms energy: -35.816780 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -6.336 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -6.104 tors. eta vs tors. theta energy: -8.945 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: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -102.701986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.701986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.701986 (E_RNA) where: Base-Base interactions energy: -73.055 where: short stacking energy: -36.043 Base-Backbone interact. energy: -0.060 local terms energy: -29.587505 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -8.591 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -5.092 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: 4, replica: 10 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -103.539596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.539596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.539596 (E_RNA) where: Base-Base interactions energy: -66.816 where: short stacking energy: -29.986 Base-Backbone interact. energy: -0.260 local terms energy: -36.463311 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -8.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -65.267017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.267017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.267017 (E_RNA) where: Base-Base interactions energy: -32.589 where: short stacking energy: -19.236 Base-Backbone interact. energy: -0.008 local terms energy: -32.670002 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -4.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -67.058605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.058605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.058605 (E_RNA) where: Base-Base interactions energy: -35.153 where: short stacking energy: -35.153 Base-Backbone interact. energy: -0.000 local terms energy: -31.905523 where: bonds (distance) C4'-P energy: -2.669 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -8.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -54.579268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.579268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.579268 (E_RNA) where: Base-Base interactions energy: -24.340 where: short stacking energy: -23.167 Base-Backbone interact. energy: -0.045 local terms energy: -30.194536 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.708 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -3.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -73.942550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.942550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.942550 (E_RNA) where: Base-Base interactions energy: -47.855 where: short stacking energy: -23.366 Base-Backbone interact. energy: -0.001 local terms energy: -26.087178 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -0.719 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: 9, replica: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -56.946086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.946086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.946086 (E_RNA) where: Base-Base interactions energy: -29.604 where: short stacking energy: -25.797 Base-Backbone interact. energy: -0.013 local terms energy: -27.328659 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -54.127311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.127311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.127311 (E_RNA) where: Base-Base interactions energy: -23.358 where: short stacking energy: -19.073 Base-Backbone interact. energy: -0.001 local terms energy: -30.768909 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -5.492 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -5.807 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: 1, replica: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -111.040456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.040456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.040456 (E_RNA) where: Base-Base interactions energy: -71.663 where: short stacking energy: -37.072 Base-Backbone interact. energy: 0.360 local terms energy: -39.736912 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -8.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -107.512120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.512120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.512120 (E_RNA) where: Base-Base interactions energy: -70.884 where: short stacking energy: -35.193 Base-Backbone interact. energy: -0.404 local terms energy: -36.224358 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -7.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -97.846469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.846469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.846469 (E_RNA) where: Base-Base interactions energy: -68.410 where: short stacking energy: -31.518 Base-Backbone interact. energy: -0.613 local terms energy: -28.823638 where: bonds (distance) C4'-P energy: -5.539 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -3.842 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: 2 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -75.177931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.177931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.177931 (E_RNA) where: Base-Base interactions energy: -41.052 where: short stacking energy: -24.733 Base-Backbone interact. energy: -0.013 local terms energy: -34.112364 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -5.261 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: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -105.297889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.297889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.297889 (E_RNA) where: Base-Base interactions energy: -67.227 where: short stacking energy: -33.707 Base-Backbone interact. energy: -0.966 local terms energy: -37.104878 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.149 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -8.537 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: 279 Temperature: 1.150000 Total energy: -64.844088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.844088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.844088 (E_RNA) where: Base-Base interactions energy: -35.127 where: short stacking energy: -26.981 Base-Backbone interact. energy: -0.401 local terms energy: -29.316514 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -8.043 flat angles P-C4'-P energy: 0.516 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -60.080334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.080334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.080334 (E_RNA) where: Base-Base interactions energy: -31.275 where: short stacking energy: -15.558 Base-Backbone interact. energy: -0.127 local terms energy: -28.679226 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.579 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -2.652 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: 8, replica: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -63.774491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.774491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.774491 (E_RNA) where: Base-Base interactions energy: -29.293 where: short stacking energy: -30.313 Base-Backbone interact. energy: -0.028 local terms energy: -34.454321 where: bonds (distance) C4'-P energy: -5.066 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.863 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -5.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -90.872476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.872476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.872476 (E_RNA) where: Base-Base interactions energy: -60.520 where: short stacking energy: -30.548 Base-Backbone interact. energy: -0.712 local terms energy: -29.640909 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -70.782261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.782261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.782261 (E_RNA) where: Base-Base interactions energy: -48.417 where: short stacking energy: -17.568 Base-Backbone interact. energy: -0.087 local terms energy: -22.277657 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.076 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -102.713758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.713758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.713758 (E_RNA) where: Base-Base interactions energy: -69.165 where: short stacking energy: -27.735 Base-Backbone interact. energy: -0.954 local terms energy: -32.594816 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -5.964 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: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -108.581731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.581731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.581731 (E_RNA) where: Base-Base interactions energy: -70.244 where: short stacking energy: -35.780 Base-Backbone interact. energy: -0.666 local terms energy: -37.671346 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -6.637 tors. eta vs tors. theta energy: -6.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -84.216862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.216862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.216862 (E_RNA) where: Base-Base interactions energy: -50.373 where: short stacking energy: -33.217 Base-Backbone interact. energy: -0.015 local terms energy: -33.829473 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -5.564 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -8.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -95.440440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.440440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.440440 (E_RNA) where: Base-Base interactions energy: -63.937 where: short stacking energy: -31.616 Base-Backbone interact. energy: -1.260 local terms energy: -30.243095 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -6.840 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: 10 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -105.182000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.182000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.182000 (E_RNA) where: Base-Base interactions energy: -81.365 where: short stacking energy: -32.794 Base-Backbone interact. energy: -0.009 local terms energy: -23.808378 where: bonds (distance) C4'-P energy: -4.894 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: 1.135 tors. eta vs tors. theta energy: -6.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -77.576774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.576774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.576774 (E_RNA) where: Base-Base interactions energy: -49.940 where: short stacking energy: -25.222 Base-Backbone interact. energy: -0.053 local terms energy: -27.583631 where: bonds (distance) C4'-P energy: -4.364 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -2.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -56.695256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.695256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.695256 (E_RNA) where: Base-Base interactions energy: -27.812 where: short stacking energy: -16.139 Base-Backbone interact. energy: -0.752 local terms energy: -28.131576 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -67.521417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.521417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.521417 (E_RNA) where: Base-Base interactions energy: -34.443 where: short stacking energy: -17.948 Base-Backbone interact. energy: -0.747 local terms energy: -32.331281 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: -5.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -99.069755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.069755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.069755 (E_RNA) where: Base-Base interactions energy: -68.415 where: short stacking energy: -33.836 Base-Backbone interact. energy: -0.002 local terms energy: -30.652785 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -4.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -49.014586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.014586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.014586 (E_RNA) where: Base-Base interactions energy: -23.826 where: short stacking energy: -23.826 Base-Backbone interact. energy: -0.049 local terms energy: -25.139196 where: bonds (distance) C4'-P energy: -2.190 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -106.132476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.132476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.132476 (E_RNA) where: Base-Base interactions energy: -72.942 where: short stacking energy: -36.486 Base-Backbone interact. energy: 0.051 local terms energy: -33.240817 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -4.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -108.668310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.668310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.668310 (E_RNA) where: Base-Base interactions energy: -71.664 where: short stacking energy: -36.469 Base-Backbone interact. energy: -1.348 local terms energy: -35.656286 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -5.269 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: 3, replica: 2 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -76.684320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.684320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.684320 (E_RNA) where: Base-Base interactions energy: -46.383 where: short stacking energy: -30.595 Base-Backbone interact. energy: -0.012 local terms energy: -30.289084 where: bonds (distance) C4'-P energy: -6.617 bonds (distance) P-C4' energy: -7.231 flat angles C4'-P-C4' energy: -8.768 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -2.947 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: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -107.464599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.464599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.464599 (E_RNA) where: Base-Base interactions energy: -71.077 where: short stacking energy: -32.733 Base-Backbone interact. energy: -0.128 local terms energy: -36.258865 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -4.037 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: 5, replica: 9 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -105.159429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.159429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.159429 (E_RNA) where: Base-Base interactions energy: -71.761 where: short stacking energy: -30.491 Base-Backbone interact. energy: -0.155 local terms energy: -33.243533 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -6.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -53.088190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.088190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.088190 (E_RNA) where: Base-Base interactions energy: -24.227 where: short stacking energy: -16.858 Base-Backbone interact. energy: -0.069 local terms energy: -28.792328 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -2.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -60.159839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.159839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.159839 (E_RNA) where: Base-Base interactions energy: -28.955 where: short stacking energy: -24.425 Base-Backbone interact. energy: -0.048 local terms energy: -31.156961 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.817 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -101.786915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.786915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.786915 (E_RNA) where: Base-Base interactions energy: -67.795 where: short stacking energy: -32.020 Base-Backbone interact. energy: -0.273 local terms energy: -33.719488 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -7.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -51.970833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.970833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.970833 (E_RNA) where: Base-Base interactions energy: -26.217 where: short stacking energy: -19.870 Base-Backbone interact. energy: -0.112 local terms energy: -25.642534 where: bonds (distance) C4'-P energy: -4.036 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -6.993 tors. eta vs tors. theta energy: 1.847 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: 4 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -57.366492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.366492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.366492 (E_RNA) where: Base-Base interactions energy: -25.871 where: short stacking energy: -25.871 Base-Backbone interact. energy: -0.026 local terms energy: -31.468817 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -4.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -111.141891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.141891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.141891 (E_RNA) where: Base-Base interactions energy: -73.495 where: short stacking energy: -37.463 Base-Backbone interact. energy: -0.179 local terms energy: -37.467713 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -8.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -108.764480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.764480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.764480 (E_RNA) where: Base-Base interactions energy: -70.441 where: short stacking energy: -34.457 Base-Backbone interact. energy: -0.999 local terms energy: -37.324570 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.975 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -7.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -106.364036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.364036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.364036 (E_RNA) where: Base-Base interactions energy: -70.723 where: short stacking energy: -34.931 Base-Backbone interact. energy: -0.787 local terms energy: -34.854176 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.920 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -2.508 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: 4, replica: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -93.807451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.807451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.807451 (E_RNA) where: Base-Base interactions energy: -67.569 where: short stacking energy: -31.148 Base-Backbone interact. energy: -0.008 local terms energy: -26.230357 where: bonds (distance) C4'-P energy: -3.742 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -94.585834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.585834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.585834 (E_RNA) where: Base-Base interactions energy: -62.535 where: short stacking energy: -29.147 Base-Backbone interact. energy: -0.041 local terms energy: -32.009711 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -6.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -53.040873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.040873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.040873 (E_RNA) where: Base-Base interactions energy: -26.396 where: short stacking energy: -26.396 Base-Backbone interact. energy: 0.267 local terms energy: -26.912130 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -4.895 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -100.290386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.290386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.290386 (E_RNA) where: Base-Base interactions energy: -67.920 where: short stacking energy: -34.122 Base-Backbone interact. energy: -0.664 local terms energy: -31.705983 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -6.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -55.643840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.643840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.643840 (E_RNA) where: Base-Base interactions energy: -26.809 where: short stacking energy: -22.098 Base-Backbone interact. energy: -0.000 local terms energy: -28.834855 where: bonds (distance) C4'-P energy: -4.933 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -3.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -51.410027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.410027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.410027 (E_RNA) where: Base-Base interactions energy: -24.720 where: short stacking energy: -24.720 Base-Backbone interact. energy: -0.062 local terms energy: -26.627391 where: bonds (distance) C4'-P energy: -7.228 bonds (distance) P-C4' energy: -4.971 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -62.094098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.094098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.094098 (E_RNA) where: Base-Base interactions energy: -36.779 where: short stacking energy: -20.004 Base-Backbone interact. energy: -0.089 local terms energy: -25.226330 where: bonds (distance) C4'-P energy: -4.086 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -6.628 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: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -111.559444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.559444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.559444 (E_RNA) where: Base-Base interactions energy: -73.144 where: short stacking energy: -37.458 Base-Backbone interact. energy: -1.255 local terms energy: -37.160274 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -6.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -106.707299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.707299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.707299 (E_RNA) where: Base-Base interactions energy: -77.781 where: short stacking energy: -35.094 Base-Backbone interact. energy: -0.005 local terms energy: -28.921499 where: bonds (distance) C4'-P energy: -5.900 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -3.913 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: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -106.728671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.728671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.728671 (E_RNA) where: Base-Base interactions energy: -73.937 where: short stacking energy: -37.790 Base-Backbone interact. energy: -1.422 local terms energy: -31.369575 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -5.223 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: 9 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -99.911744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.911744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.911744 (E_RNA) where: Base-Base interactions energy: -68.573 where: short stacking energy: -24.451 Base-Backbone interact. energy: -0.069 local terms energy: -31.269452 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -91.996667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.996667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.996667 (E_RNA) where: Base-Base interactions energy: -65.191 where: short stacking energy: -22.242 Base-Backbone interact. energy: -1.159 local terms energy: -25.646980 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -0.857 tors. eta vs tors. theta energy: -4.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -99.554380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.554380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.554380 (E_RNA) where: Base-Base interactions energy: -64.082 where: short stacking energy: -32.092 Base-Backbone interact. energy: -0.123 local terms energy: -35.349399 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -59.623233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.623233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.623233 (E_RNA) where: Base-Base interactions energy: -27.121 where: short stacking energy: -27.121 Base-Backbone interact. energy: -0.000 local terms energy: -32.502103 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.472 flat angles P-C4'-P energy: -1.112 tors. eta vs tors. theta energy: -7.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -47.732590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.732590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.732590 (E_RNA) where: Base-Base interactions energy: -22.265 where: short stacking energy: -21.778 Base-Backbone interact. energy: -0.066 local terms energy: -25.401765 where: bonds (distance) C4'-P energy: -4.267 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -53.750012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.750012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.750012 (E_RNA) where: Base-Base interactions energy: -27.362 where: short stacking energy: -20.459 Base-Backbone interact. energy: 0.134 local terms energy: -26.522002 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -8.507 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -1.777 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: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -56.412589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.412589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.412589 (E_RNA) where: Base-Base interactions energy: -23.607 where: short stacking energy: -23.607 Base-Backbone interact. energy: -0.185 local terms energy: -32.620668 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -6.806 tors. eta vs tors. theta energy: -4.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -105.404550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.404550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.404550 (E_RNA) where: Base-Base interactions energy: -72.903 where: short stacking energy: -31.221 Base-Backbone interact. energy: -0.007 local terms energy: -32.494209 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -4.987 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: 2, replica: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -110.183626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.183626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.183626 (E_RNA) where: Base-Base interactions energy: -76.901 where: short stacking energy: -33.203 Base-Backbone interact. energy: -0.092 local terms energy: -33.191122 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -6.345 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -7.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -102.565079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.565079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.565079 (E_RNA) where: Base-Base interactions energy: -74.112 where: short stacking energy: -28.251 Base-Backbone interact. energy: -0.007 local terms energy: -28.446060 where: bonds (distance) C4'-P energy: -5.468 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -1.094 tors. eta vs tors. theta energy: -6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -102.071383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.071383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.071383 (E_RNA) where: Base-Base interactions energy: -69.903 where: short stacking energy: -31.195 Base-Backbone interact. energy: -0.001 local terms energy: -32.167301 where: bonds (distance) C4'-P energy: -5.014 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -6.853 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: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -103.573744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.573744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.573744 (E_RNA) where: Base-Base interactions energy: -69.035 where: short stacking energy: -35.243 Base-Backbone interact. energy: -1.610 local terms energy: -32.929457 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -5.213 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: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -90.980005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.980005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.980005 (E_RNA) where: Base-Base interactions energy: -66.765 where: short stacking energy: -25.841 Base-Backbone interact. energy: -0.004 local terms energy: -24.211190 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -5.411 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -2.257 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: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -67.701742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.701742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.701742 (E_RNA) where: Base-Base interactions energy: -34.263 where: short stacking energy: -34.263 Base-Backbone interact. energy: -0.067 local terms energy: -33.372510 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -5.073 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -8.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -64.518401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.518401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.518401 (E_RNA) where: Base-Base interactions energy: -36.459 where: short stacking energy: -11.038 Base-Backbone interact. energy: -0.017 local terms energy: -28.041774 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -5.049 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: 1 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -63.152005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.152005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.152005 (E_RNA) where: Base-Base interactions energy: -28.566 where: short stacking energy: -28.566 Base-Backbone interact. energy: -0.000 local terms energy: -34.586022 where: bonds (distance) C4'-P energy: -5.746 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.666 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -6.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -49.985106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.985106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.985106 (E_RNA) where: Base-Base interactions energy: -25.004 where: short stacking energy: -13.549 Base-Backbone interact. energy: -0.892 local terms energy: -24.089731 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -6.530 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: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -105.216345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.216345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.216345 (E_RNA) where: Base-Base interactions energy: -71.369 where: short stacking energy: -35.784 Base-Backbone interact. energy: -0.014 local terms energy: -33.833053 where: bonds (distance) C4'-P energy: -6.313 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -6.706 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: 9 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -97.597458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.597458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.597458 (E_RNA) where: Base-Base interactions energy: -67.346 where: short stacking energy: -32.263 Base-Backbone interact. energy: -1.472 local terms energy: -28.779523 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -3.918 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: 3, replica: 8 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -107.329576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.329576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.329576 (E_RNA) where: Base-Base interactions energy: -71.004 where: short stacking energy: -37.011 Base-Backbone interact. energy: -1.338 local terms energy: -34.987637 where: bonds (distance) C4'-P energy: -6.316 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.415 flat angles P-C4'-P energy: -5.216 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: 4, replica: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -102.456795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.456795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.456795 (E_RNA) where: Base-Base interactions energy: -67.768 where: short stacking energy: -32.685 Base-Backbone interact. energy: -0.258 local terms energy: -34.430833 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -4.094 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: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -102.443495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.443495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.443495 (E_RNA) where: Base-Base interactions energy: -68.986 where: short stacking energy: -35.568 Base-Backbone interact. energy: -0.579 local terms energy: -32.877779 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -6.688 tors. eta vs tors. theta energy: -7.808 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: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -89.959280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.959280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.959280 (E_RNA) where: Base-Base interactions energy: -68.435 where: short stacking energy: -22.289 Base-Backbone interact. energy: -0.024 local terms energy: -21.499306 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -1.249 tors. eta vs tors. theta energy: -0.371 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: 285 Temperature: 1.200000 Total energy: -55.149895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.149895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.149895 (E_RNA) where: Base-Base interactions energy: -34.546 where: short stacking energy: -8.604 Base-Backbone interact. energy: -0.008 local terms energy: -20.595567 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: 1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -67.256156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.256156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.256156 (E_RNA) where: Base-Base interactions energy: -35.861 where: short stacking energy: -30.373 Base-Backbone interact. energy: -0.000 local terms energy: -31.395399 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -3.923 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: 9, replica: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -52.760396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.760396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.760396 (E_RNA) where: Base-Base interactions energy: -22.790 where: short stacking energy: -20.987 Base-Backbone interact. energy: 0.928 local terms energy: -30.898952 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -2.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -58.163298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.163298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.163298 (E_RNA) where: Base-Base interactions energy: -29.845 where: short stacking energy: -29.845 Base-Backbone interact. energy: -0.072 local terms energy: -28.245712 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -6.258 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: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -107.870729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.870729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.870729 (E_RNA) where: Base-Base interactions energy: -67.416 where: short stacking energy: -34.562 Base-Backbone interact. energy: -1.306 local terms energy: -39.149231 where: bonds (distance) C4'-P energy: -7.803 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -7.782 tors. eta vs tors. theta energy: -7.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -97.220510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.220510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.220510 (E_RNA) where: Base-Base interactions energy: -62.159 where: short stacking energy: -33.648 Base-Backbone interact. energy: -0.196 local terms energy: -34.865223 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -4.883 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: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -107.091548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.091548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.091548 (E_RNA) where: Base-Base interactions energy: -71.213 where: short stacking energy: -34.747 Base-Backbone interact. energy: -0.615 local terms energy: -35.263978 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -6.923 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -101.745448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.745448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.745448 (E_RNA) where: Base-Base interactions energy: -66.869 where: short stacking energy: -34.952 Base-Backbone interact. energy: -0.268 local terms energy: -34.608266 where: bonds (distance) C4'-P energy: -6.533 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -6.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -70.622644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.622644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.622644 (E_RNA) where: Base-Base interactions energy: -34.996 where: short stacking energy: -26.741 Base-Backbone interact. energy: -0.000 local terms energy: -35.626135 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -8.623 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: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -95.984990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.984990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.984990 (E_RNA) where: Base-Base interactions energy: -64.360 where: short stacking energy: -35.020 Base-Backbone interact. energy: -0.003 local terms energy: -31.621827 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -5.162 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: 7, replica: 1 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -61.493915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.493915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.493915 (E_RNA) where: Base-Base interactions energy: -40.031 where: short stacking energy: -17.510 Base-Backbone interact. energy: 1.450 local terms energy: -22.912797 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -1.740 tors. eta vs tors. theta energy: 0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -48.223272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.223272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.223272 (E_RNA) where: Base-Base interactions energy: -18.243 where: short stacking energy: -10.118 Base-Backbone interact. energy: -0.005 local terms energy: -29.974478 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -5.823 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: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -59.095617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.095617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.095617 (E_RNA) where: Base-Base interactions energy: -29.994 where: short stacking energy: -28.434 Base-Backbone interact. energy: -0.053 local terms energy: -29.048255 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -7.410 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -4.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -55.708541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.708541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.708541 (E_RNA) where: Base-Base interactions energy: -28.854 where: short stacking energy: -21.954 Base-Backbone interact. energy: -0.036 local terms energy: -26.818744 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -4.786 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -4.495 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: 287 Temperature: 0.900000 Total energy: -107.740774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.740774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.740774 (E_RNA) where: Base-Base interactions energy: -70.684 where: short stacking energy: -35.075 Base-Backbone interact. energy: -1.185 local terms energy: -35.871982 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -6.300 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: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -109.317987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.317987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.317987 (E_RNA) where: Base-Base interactions energy: -73.857 where: short stacking energy: -37.261 Base-Backbone interact. energy: -1.072 local terms energy: -34.388101 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -6.264 tors. eta vs tors. theta energy: -6.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -96.914868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.914868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.914868 (E_RNA) where: Base-Base interactions energy: -63.803 where: short stacking energy: -32.412 Base-Backbone interact. energy: -1.119 local terms energy: -31.993281 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -6.965 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: 4, replica: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -100.480212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.480212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.480212 (E_RNA) where: Base-Base interactions energy: -65.172 where: short stacking energy: -29.109 Base-Backbone interact. energy: -1.267 local terms energy: -34.041240 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -7.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -68.889560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.889560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.889560 (E_RNA) where: Base-Base interactions energy: -34.315 where: short stacking energy: -34.315 Base-Backbone interact. energy: -0.035 local terms energy: -34.539730 where: bonds (distance) C4'-P energy: -6.256 bonds (distance) P-C4' energy: -7.668 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -8.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -105.028998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.028998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.028998 (E_RNA) where: Base-Base interactions energy: -70.069 where: short stacking energy: -32.903 Base-Backbone interact. energy: 0.103 local terms energy: -35.062843 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -7.882 flat angles C4'-P-C4' energy: -8.645 flat angles P-C4'-P energy: -6.803 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: 7, replica: 1 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -59.908786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.908786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.908786 (E_RNA) where: Base-Base interactions energy: -32.775 where: short stacking energy: -25.886 Base-Backbone interact. energy: 0.297 local terms energy: -27.430946 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -1.398 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -6.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -60.217744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.217744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.217744 (E_RNA) where: Base-Base interactions energy: -29.912 where: short stacking energy: -29.912 Base-Backbone interact. energy: -0.001 local terms energy: -30.304878 where: bonds (distance) C4'-P energy: -4.240 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -58.190364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.190364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.190364 (E_RNA) where: Base-Base interactions energy: -25.757 where: short stacking energy: -25.857 Base-Backbone interact. energy: -0.031 local terms energy: -32.402070 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -6.345 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: 5 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -98.037796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.037796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.037796 (E_RNA) where: Base-Base interactions energy: -65.730 where: short stacking energy: -29.176 Base-Backbone interact. energy: -1.377 local terms energy: -30.930710 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: -4.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -110.372915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.372915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.372915 (E_RNA) where: Base-Base interactions energy: -70.888 where: short stacking energy: -35.582 Base-Backbone interact. energy: -1.637 local terms energy: -37.848758 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -5.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -111.159722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.159722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.159722 (E_RNA) where: Base-Base interactions energy: -71.870 where: short stacking energy: -36.304 Base-Backbone interact. energy: -0.035 local terms energy: -39.254542 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.537 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -8.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -112.020192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.020192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.020192 (E_RNA) where: Base-Base interactions energy: -78.402 where: short stacking energy: -30.548 Base-Backbone interact. energy: -0.004 local terms energy: -33.614736 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -6.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -100.139636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.139636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.139636 (E_RNA) where: Base-Base interactions energy: -70.041 where: short stacking energy: -35.040 Base-Backbone interact. energy: -0.007 local terms energy: -30.092457 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -5.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -102.633880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.633880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.633880 (E_RNA) where: Base-Base interactions energy: -66.287 where: short stacking energy: -33.165 Base-Backbone interact. energy: -1.302 local terms energy: -35.044892 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -6.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -62.496248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.496248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.496248 (E_RNA) where: Base-Base interactions energy: -32.955 where: short stacking energy: -14.274 Base-Backbone interact. energy: -0.045 local terms energy: -29.496708 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -74.053683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.053683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.053683 (E_RNA) where: Base-Base interactions energy: -40.356 where: short stacking energy: -40.356 Base-Backbone interact. energy: -0.000 local terms energy: -33.698057 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -3.028 tors. eta vs tors. theta energy: -8.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -54.479202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.479202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.479202 (E_RNA) where: Base-Base interactions energy: -27.172 where: short stacking energy: -27.172 Base-Backbone interact. energy: -0.058 local terms energy: -27.250088 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -5.796 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -2.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -82.903986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.903986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.903986 (E_RNA) where: Base-Base interactions energy: -56.712 where: short stacking energy: -23.964 Base-Backbone interact. energy: -0.027 local terms energy: -26.164335 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -7.526 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -0.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -53.738267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.738267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.738267 (E_RNA) where: Base-Base interactions energy: -25.636 where: short stacking energy: -25.636 Base-Backbone interact. energy: -0.000 local terms energy: -28.101944 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -110.067637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.067637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.067637 (E_RNA) where: Base-Base interactions energy: -72.020 where: short stacking energy: -36.970 Base-Backbone interact. energy: -2.058 local terms energy: -35.989900 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -7.205 tors. eta vs tors. theta energy: -7.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -99.716791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.716791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.716791 (E_RNA) where: Base-Base interactions energy: -67.999 where: short stacking energy: -28.192 Base-Backbone interact. energy: -0.319 local terms energy: -31.398934 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: -3.914 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: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -107.900952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.900952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.900952 (E_RNA) where: Base-Base interactions energy: -73.819 where: short stacking energy: -37.212 Base-Backbone interact. energy: -1.383 local terms energy: -32.698397 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -5.788 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -5.982 tors. eta vs tors. theta energy: -7.237 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -106.665245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.665245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.665245 (E_RNA) where: Base-Base interactions energy: -72.216 where: short stacking energy: -35.538 Base-Backbone interact. energy: -0.466 local terms energy: -33.982579 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -5.065 tors. eta vs tors. theta energy: -7.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -106.044919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.044919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.044919 (E_RNA) where: Base-Base interactions energy: -70.429 where: short stacking energy: -36.589 Base-Backbone interact. energy: 0.767 local terms energy: -36.383153 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -6.784 flat angles C4'-P-C4' energy: -9.477 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -7.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -59.812418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.812418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.812418 (E_RNA) where: Base-Base interactions energy: -31.999 where: short stacking energy: -16.727 Base-Backbone interact. energy: -0.001 local terms energy: -27.812233 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -4.851 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -4.208 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: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -67.494778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.494778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.494778 (E_RNA) where: Base-Base interactions energy: -36.055 where: short stacking energy: -36.055 Base-Backbone interact. energy: -0.000 local terms energy: -31.439893 where: bonds (distance) C4'-P energy: -6.095 bonds (distance) P-C4' energy: -4.999 flat angles C4'-P-C4' energy: -8.996 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -8.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -60.251045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.251045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.251045 (E_RNA) where: Base-Base interactions energy: -30.468 where: short stacking energy: -30.468 Base-Backbone interact. energy: -0.038 local terms energy: -29.745070 where: bonds (distance) C4'-P energy: -3.493 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -5.628 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: 9, replica: 5 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -48.753928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.753928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.753928 (E_RNA) where: Base-Base interactions energy: -20.040 where: short stacking energy: -20.040 Base-Backbone interact. energy: -0.096 local terms energy: -28.618648 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -51.377841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.377841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.377841 (E_RNA) where: Base-Base interactions energy: -21.332 where: short stacking energy: -21.332 Base-Backbone interact. energy: -0.130 local terms energy: -29.916630 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -3.038 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: 7 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -108.528574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.528574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.528574 (E_RNA) where: Base-Base interactions energy: -72.323 where: short stacking energy: -36.052 Base-Backbone interact. energy: -0.593 local terms energy: -35.613103 where: bonds (distance) C4'-P energy: -6.999 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -7.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -106.687264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.687264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.687264 (E_RNA) where: Base-Base interactions energy: -68.702 where: short stacking energy: -34.887 Base-Backbone interact. energy: -0.589 local terms energy: -37.396274 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -6.656 tors. eta vs tors. theta energy: -6.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -109.876954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.876954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.876954 (E_RNA) where: Base-Base interactions energy: -72.818 where: short stacking energy: -35.279 Base-Backbone interact. energy: -0.368 local terms energy: -36.690914 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: -6.534 tors. eta vs tors. theta energy: -6.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -106.139777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.139777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.139777 (E_RNA) where: Base-Base interactions energy: -72.747 where: short stacking energy: -37.056 Base-Backbone interact. energy: -0.511 local terms energy: -32.882031 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -2.126 tors. eta vs tors. theta energy: -7.356 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: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -103.627626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.627626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.627626 (E_RNA) where: Base-Base interactions energy: -68.863 where: short stacking energy: -32.973 Base-Backbone interact. energy: -0.273 local terms energy: -34.491590 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -9.169 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -7.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -67.487009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.487009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.487009 (E_RNA) where: Base-Base interactions energy: -31.920 where: short stacking energy: -31.920 Base-Backbone interact. energy: -0.000 local terms energy: -35.566751 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -8.249 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: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -60.906939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.906939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.906939 (E_RNA) where: Base-Base interactions energy: -28.062 where: short stacking energy: -28.062 Base-Backbone interact. energy: -0.001 local terms energy: -32.843491 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -6.886 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -58.847769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.847769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.847769 (E_RNA) where: Base-Base interactions energy: -28.903 where: short stacking energy: -28.903 Base-Backbone interact. energy: -0.028 local terms energy: -29.916235 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -5.462 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: 9, replica: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -51.987066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.987066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.987066 (E_RNA) where: Base-Base interactions energy: -25.266 where: short stacking energy: -11.612 Base-Backbone interact. energy: -0.223 local terms energy: -26.498118 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: 0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -54.470246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.470246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.470246 (E_RNA) where: Base-Base interactions energy: -25.940 where: short stacking energy: -23.183 Base-Backbone interact. energy: -0.005 local terms energy: -28.525549 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -3.983 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -6.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -110.519513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.519513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.519513 (E_RNA) where: Base-Base interactions energy: -71.899 where: short stacking energy: -36.364 Base-Backbone interact. energy: -1.256 local terms energy: -37.363822 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -9.373 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -7.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -106.330706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.330706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.330706 (E_RNA) where: Base-Base interactions energy: -72.854 where: short stacking energy: -35.797 Base-Backbone interact. energy: 0.306 local terms energy: -33.782400 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -2.086 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: 3, replica: 2 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -105.498719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.498719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.498719 (E_RNA) where: Base-Base interactions energy: -69.611 where: short stacking energy: -33.589 Base-Backbone interact. energy: -1.861 local terms energy: -34.026030 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: -6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -105.767649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.767649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.767649 (E_RNA) where: Base-Base interactions energy: -68.808 where: short stacking energy: -32.749 Base-Backbone interact. energy: -1.172 local terms energy: -35.786960 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -4.161 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: 5, replica: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -93.438024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.438024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.438024 (E_RNA) where: Base-Base interactions energy: -63.541 where: short stacking energy: -27.420 Base-Backbone interact. energy: -0.011 local terms energy: -29.886409 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -3.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -74.099399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.099399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.099399 (E_RNA) where: Base-Base interactions energy: -45.468 where: short stacking energy: -27.244 Base-Backbone interact. energy: -0.890 local terms energy: -27.741155 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -6.729 flat angles P-C4'-P energy: -4.854 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: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -63.916096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.916096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.916096 (E_RNA) where: Base-Base interactions energy: -28.927 where: short stacking energy: -28.927 Base-Backbone interact. energy: -0.000 local terms energy: -34.989474 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -9.581 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: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -63.455979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.455979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.455979 (E_RNA) where: Base-Base interactions energy: -36.879 where: short stacking energy: -36.879 Base-Backbone interact. energy: -0.003 local terms energy: -26.573913 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -1.350 tors. eta vs tors. theta energy: -8.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -54.878207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.878207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.878207 (E_RNA) where: Base-Base interactions energy: -27.988 where: short stacking energy: -22.218 Base-Backbone interact. energy: -0.002 local terms energy: -26.888486 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -3.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -54.338320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.338320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.338320 (E_RNA) where: Base-Base interactions energy: -23.670 where: short stacking energy: -22.764 Base-Backbone interact. energy: -0.049 local terms energy: -30.619622 where: bonds (distance) C4'-P energy: -5.150 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -7.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -110.410584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.410584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.410584 (E_RNA) where: Base-Base interactions energy: -71.179 where: short stacking energy: -35.017 Base-Backbone interact. energy: -0.012 local terms energy: -39.219635 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.724 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -7.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -111.564711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.564711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.564711 (E_RNA) where: Base-Base interactions energy: -76.250 where: short stacking energy: -32.077 Base-Backbone interact. energy: -0.065 local terms energy: -35.249577 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -1.647 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: 3, replica: 10 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -104.848521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.848521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.848521 (E_RNA) where: Base-Base interactions energy: -68.913 where: short stacking energy: -33.323 Base-Backbone interact. energy: -0.026 local terms energy: -35.910036 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -7.674 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: 2 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -103.600680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.600680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.600680 (E_RNA) where: Base-Base interactions energy: -68.702 where: short stacking energy: -35.408 Base-Backbone interact. energy: -1.273 local terms energy: -33.625436 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -3.345 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: 5, replica: 9 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -103.928845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.928845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.928845 (E_RNA) where: Base-Base interactions energy: -68.588 where: short stacking energy: -34.736 Base-Backbone interact. energy: 1.039 local terms energy: -36.379397 where: bonds (distance) C4'-P energy: -8.958 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -7.013 tors. eta vs tors. theta energy: -6.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -72.674840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.674840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.674840 (E_RNA) where: Base-Base interactions energy: -45.198 where: short stacking energy: -28.309 Base-Backbone interact. energy: -0.525 local terms energy: -26.951884 where: bonds (distance) C4'-P energy: -5.924 bonds (distance) P-C4' energy: -6.765 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -4.343 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: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -89.040807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.040807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.040807 (E_RNA) where: Base-Base interactions energy: -60.015 where: short stacking energy: -23.629 Base-Backbone interact. energy: -0.119 local terms energy: -28.906789 where: bonds (distance) C4'-P energy: -8.598 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -2.758 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -58.467554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.467554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.467554 (E_RNA) where: Base-Base interactions energy: -29.297 where: short stacking energy: -15.598 Base-Backbone interact. energy: -0.095 local terms energy: -29.076108 where: bonds (distance) C4'-P energy: -5.208 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -55.373570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.373570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.373570 (E_RNA) where: Base-Base interactions energy: -21.540 where: short stacking energy: -21.540 Base-Backbone interact. energy: -0.000 local terms energy: -33.833294 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -5.130 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: 10, replica: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -63.516717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.516717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.516717 (E_RNA) where: Base-Base interactions energy: -31.561 where: short stacking energy: -24.422 Base-Backbone interact. energy: -0.002 local terms energy: -31.953956 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -4.829 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: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -110.411906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.411906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.411906 (E_RNA) where: Base-Base interactions energy: -76.764 where: short stacking energy: -39.177 Base-Backbone interact. energy: -0.054 local terms energy: -33.593239 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -7.266 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: 10 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -107.974932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.974932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.974932 (E_RNA) where: Base-Base interactions energy: -71.414 where: short stacking energy: -34.857 Base-Backbone interact. energy: -1.010 local terms energy: -35.551456 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -7.306 tors. eta vs tors. theta energy: -7.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -95.814475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.814475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.814475 (E_RNA) where: Base-Base interactions energy: -63.054 where: short stacking energy: -29.036 Base-Backbone interact. energy: -0.914 local terms energy: -31.846589 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -6.978 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -6.345 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: 4, replica: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -104.921532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.921532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.921532 (E_RNA) where: Base-Base interactions energy: -71.645 where: short stacking energy: -35.408 Base-Backbone interact. energy: -0.347 local terms energy: -32.929828 where: bonds (distance) C4'-P energy: -3.849 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.524 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -7.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -100.814382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.814382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.814382 (E_RNA) where: Base-Base interactions energy: -65.801 where: short stacking energy: -31.211 Base-Backbone interact. energy: -1.321 local terms energy: -33.692320 where: bonds (distance) C4'-P energy: -4.819 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -8.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -96.240265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.240265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.240265 (E_RNA) where: Base-Base interactions energy: -68.844 where: short stacking energy: -26.750 Base-Backbone interact. energy: -0.012 local terms energy: -27.383948 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -67.196364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.196364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.196364 (E_RNA) where: Base-Base interactions energy: -31.837 where: short stacking energy: -20.225 Base-Backbone interact. energy: -1.822 local terms energy: -33.537094 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -5.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -61.524059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.524059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.524059 (E_RNA) where: Base-Base interactions energy: -37.379 where: short stacking energy: -18.580 Base-Backbone interact. energy: -0.108 local terms energy: -24.037711 where: bonds (distance) C4'-P energy: -4.923 bonds (distance) P-C4' energy: -6.101 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -1.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -63.181059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.181059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.181059 (E_RNA) where: Base-Base interactions energy: -32.281 where: short stacking energy: -25.425 Base-Backbone interact. energy: -0.002 local terms energy: -30.897566 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -50.715930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.715930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.715930 (E_RNA) where: Base-Base interactions energy: -23.720 where: short stacking energy: -23.720 Base-Backbone interact. energy: -0.000 local terms energy: -26.995272 where: bonds (distance) C4'-P energy: -2.089 bonds (distance) P-C4' energy: -6.748 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -7.888 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: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -109.657163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.657163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.657163 (E_RNA) where: Base-Base interactions energy: -69.791 where: short stacking energy: -34.489 Base-Backbone interact. energy: -0.514 local terms energy: -39.352209 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.916 flat angles P-C4'-P energy: -6.079 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: 2, replica: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -105.565607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.565607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.565607 (E_RNA) where: Base-Base interactions energy: -72.649 where: short stacking energy: -35.257 Base-Backbone interact. energy: -1.336 local terms energy: -31.580706 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -7.218 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: 2 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -108.134091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.134091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.134091 (E_RNA) where: Base-Base interactions energy: -70.989 where: short stacking energy: -35.543 Base-Backbone interact. energy: -0.324 local terms energy: -36.821024 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -8.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -104.341093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.341093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.341093 (E_RNA) where: Base-Base interactions energy: -67.193 where: short stacking energy: -33.583 Base-Backbone interact. energy: -0.138 local terms energy: -37.010115 where: bonds (distance) C4'-P energy: -6.888 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -6.530 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: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -101.113439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.113439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.113439 (E_RNA) where: Base-Base interactions energy: -65.831 where: short stacking energy: -32.255 Base-Backbone interact. energy: -0.438 local terms energy: -34.843608 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -6.153 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: 6, replica: 9 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -102.797632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.797632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.797632 (E_RNA) where: Base-Base interactions energy: -69.988 where: short stacking energy: -34.440 Base-Backbone interact. energy: -0.219 local terms energy: -32.590239 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -6.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -59.865602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.865602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.865602 (E_RNA) where: Base-Base interactions energy: -30.006 where: short stacking energy: -20.066 Base-Backbone interact. energy: -0.122 local terms energy: -29.737498 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -4.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -61.508874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.508874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.508874 (E_RNA) where: Base-Base interactions energy: -31.287 where: short stacking energy: -31.287 Base-Backbone interact. energy: -0.000 local terms energy: -30.221672 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -58.118648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.118648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.118648 (E_RNA) where: Base-Base interactions energy: -28.302 where: short stacking energy: -28.302 Base-Backbone interact. energy: -0.018 local terms energy: -29.798514 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -2.259 tors. eta vs tors. theta energy: -6.099 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: 10, replica: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -50.899813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.899813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.899813 (E_RNA) where: Base-Base interactions energy: -25.758 where: short stacking energy: -17.047 Base-Backbone interact. energy: -0.177 local terms energy: -24.964934 where: bonds (distance) C4'-P energy: -4.354 bonds (distance) P-C4' energy: -4.462 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -112.355647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.355647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.355647 (E_RNA) where: Base-Base interactions energy: -84.785 where: short stacking energy: -31.850 Base-Backbone interact. energy: -0.007 local terms energy: -27.563556 where: bonds (distance) C4'-P energy: -6.366 bonds (distance) P-C4' energy: -8.812 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: 3.140 tors. eta vs tors. theta energy: -7.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -109.561247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.561247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.561247 (E_RNA) where: Base-Base interactions energy: -77.984 where: short stacking energy: -34.440 Base-Backbone interact. energy: -0.004 local terms energy: -31.573096 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.351 tors. eta vs tors. theta energy: -8.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -107.884494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.884494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.884494 (E_RNA) where: Base-Base interactions energy: -69.477 where: short stacking energy: -34.729 Base-Backbone interact. energy: -1.998 local terms energy: -36.409936 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -89.596766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.596766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.596766 (E_RNA) where: Base-Base interactions energy: -60.428 where: short stacking energy: -27.136 Base-Backbone interact. energy: -0.452 local terms energy: -28.716770 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -7.860 flat angles P-C4'-P energy: -1.418 tors. eta vs tors. theta energy: -4.823 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: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -102.873788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.873788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.873788 (E_RNA) where: Base-Base interactions energy: -69.806 where: short stacking energy: -35.168 Base-Backbone interact. energy: -0.325 local terms energy: -32.742003 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -8.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -93.217200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.217200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.217200 (E_RNA) where: Base-Base interactions energy: -66.096 where: short stacking energy: -27.262 Base-Backbone interact. energy: -0.643 local terms energy: -26.477588 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -64.465387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.465387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.465387 (E_RNA) where: Base-Base interactions energy: -29.226 where: short stacking energy: -29.226 Base-Backbone interact. energy: -0.000 local terms energy: -35.239563 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -4.663 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: 8, replica: 3 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -57.220195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.220195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.220195 (E_RNA) where: Base-Base interactions energy: -30.795 where: short stacking energy: -19.527 Base-Backbone interact. energy: -0.312 local terms energy: -26.112984 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -55.384413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.384413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.384413 (E_RNA) where: Base-Base interactions energy: -27.802 where: short stacking energy: -27.802 Base-Backbone interact. energy: -0.000 local terms energy: -27.581951 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -6.983 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: 2.513 tors. eta vs tors. theta energy: -6.606 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: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -53.835814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.835814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.835814 (E_RNA) where: Base-Base interactions energy: -25.996 where: short stacking energy: -14.381 Base-Backbone interact. energy: -0.254 local terms energy: -27.585713 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -6.213 flat angles C4'-P-C4' energy: -8.989 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -110.380389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.380389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.380389 (E_RNA) where: Base-Base interactions energy: -74.433 where: short stacking energy: -31.150 Base-Backbone interact. energy: -0.289 local terms energy: -35.658498 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -3.105 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: 2, replica: 10 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -111.582129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.582129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.582129 (E_RNA) where: Base-Base interactions energy: -77.838 where: short stacking energy: -34.552 Base-Backbone interact. energy: -0.002 local terms energy: -33.741849 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -7.218 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: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -108.791237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.791237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.791237 (E_RNA) where: Base-Base interactions energy: -71.164 where: short stacking energy: -33.982 Base-Backbone interact. energy: -0.925 local terms energy: -36.702272 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -7.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -103.985978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.985978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.985978 (E_RNA) where: Base-Base interactions energy: -71.897 where: short stacking energy: -34.637 Base-Backbone interact. energy: -0.001 local terms energy: -32.088601 where: bonds (distance) C4'-P energy: -5.576 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -6.733 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: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -102.696601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.696601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.696601 (E_RNA) where: Base-Base interactions energy: -67.059 where: short stacking energy: -32.727 Base-Backbone interact. energy: -0.001 local terms energy: -35.636972 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -8.866 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -5.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -59.765499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.765499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.765499 (E_RNA) where: Base-Base interactions energy: -26.082 where: short stacking energy: -26.082 Base-Backbone interact. energy: -0.001 local terms energy: -33.683069 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -4.056 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: 3 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -62.100472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.100472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.100472 (E_RNA) where: Base-Base interactions energy: -27.032 where: short stacking energy: -27.032 Base-Backbone interact. energy: -0.000 local terms energy: -35.068308 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.239 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -6.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -66.738239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.738239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.738239 (E_RNA) where: Base-Base interactions energy: -36.487 where: short stacking energy: -36.487 Base-Backbone interact. energy: -0.000 local terms energy: -30.250954 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.220 flat angles C4'-P-C4' energy: -3.423 flat angles P-C4'-P energy: -4.858 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: 9, replica: 5 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -52.878201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.878201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.878201 (E_RNA) where: Base-Base interactions energy: -26.760 where: short stacking energy: -20.424 Base-Backbone interact. energy: -0.009 local terms energy: -26.109037 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.101 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -2.228 tors. eta vs tors. theta energy: -3.851 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: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -58.546019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.546019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.546019 (E_RNA) where: Base-Base interactions energy: -33.038 where: short stacking energy: -17.365 Base-Backbone interact. energy: -0.016 local terms energy: -25.491538 where: bonds (distance) C4'-P energy: -4.636 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -1.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -110.640054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.640054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.640054 (E_RNA) where: Base-Base interactions energy: -70.525 where: short stacking energy: -36.058 Base-Backbone interact. energy: -0.007 local terms energy: -40.107800 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -7.044 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: 2, replica: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -106.071204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.071204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.071204 (E_RNA) where: Base-Base interactions energy: -71.216 where: short stacking energy: -35.046 Base-Backbone interact. energy: -0.004 local terms energy: -34.851430 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -7.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -104.688578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.688578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.688578 (E_RNA) where: Base-Base interactions energy: -69.395 where: short stacking energy: -33.131 Base-Backbone interact. energy: -0.014 local terms energy: -35.280301 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -6.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -103.954090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.954090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.954090 (E_RNA) where: Base-Base interactions energy: -66.284 where: short stacking energy: -30.458 Base-Backbone interact. energy: -0.064 local terms energy: -37.605371 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -7.515 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: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -94.268174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.268174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.268174 (E_RNA) where: Base-Base interactions energy: -67.168 where: short stacking energy: -31.496 Base-Backbone interact. energy: 0.676 local terms energy: -27.776409 where: bonds (distance) C4'-P energy: -7.476 bonds (distance) P-C4' energy: -7.575 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -2.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -96.114209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.114209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.114209 (E_RNA) where: Base-Base interactions energy: -68.994 where: short stacking energy: -34.827 Base-Backbone interact. energy: -1.120 local terms energy: -25.999590 where: bonds (distance) C4'-P energy: -3.643 bonds (distance) P-C4' energy: -6.475 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -5.850 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: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -61.752179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.752179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.752179 (E_RNA) where: Base-Base interactions energy: -31.216 where: short stacking energy: -23.136 Base-Backbone interact. energy: -0.020 local terms energy: -30.516285 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -2.757 tors. eta vs tors. theta energy: -4.426 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: 5 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -88.986256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.986256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.986256 (E_RNA) where: Base-Base interactions energy: -60.931 where: short stacking energy: -23.549 Base-Backbone interact. energy: -0.006 local terms energy: -28.048543 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -1.828 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: 6 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -54.299503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.299503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.299503 (E_RNA) where: Base-Base interactions energy: -24.267 where: short stacking energy: -24.267 Base-Backbone interact. energy: -0.007 local terms energy: -30.026342 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -49.390383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.390383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.390383 (E_RNA) where: Base-Base interactions energy: -21.675 where: short stacking energy: -21.675 Base-Backbone interact. energy: -0.025 local terms energy: -27.690058 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.433 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -115.182189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.182189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.182189 (E_RNA) where: Base-Base interactions energy: -78.417 where: short stacking energy: -34.882 Base-Backbone interact. energy: -0.012 local terms energy: -36.752783 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -8.353 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: -7.372 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: 2 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -112.521204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.521204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.521204 (E_RNA) where: Base-Base interactions energy: -83.507 where: short stacking energy: -32.015 Base-Backbone interact. energy: -0.017 local terms energy: -28.997023 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -103.625271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.625271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.625271 (E_RNA) where: Base-Base interactions energy: -69.393 where: short stacking energy: -35.625 Base-Backbone interact. energy: -0.025 local terms energy: -34.207249 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -6.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -101.625400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.625400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.625400 (E_RNA) where: Base-Base interactions energy: -66.235 where: short stacking energy: -32.421 Base-Backbone interact. energy: -0.016 local terms energy: -35.374652 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -6.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -95.537395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.537395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.537395 (E_RNA) where: Base-Base interactions energy: -65.382 where: short stacking energy: -30.484 Base-Backbone interact. energy: -0.570 local terms energy: -29.585617 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -4.583 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: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -81.972293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.972293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.972293 (E_RNA) where: Base-Base interactions energy: -55.741 where: short stacking energy: -23.574 Base-Backbone interact. energy: -0.408 local terms energy: -25.823185 where: bonds (distance) C4'-P energy: -5.162 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -5.873 tors. eta vs tors. theta energy: -2.579 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: 5 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -97.268929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.268929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.268929 (E_RNA) where: Base-Base interactions energy: -63.943 where: short stacking energy: -32.598 Base-Backbone interact. energy: -1.689 local terms energy: -31.636771 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -6.681 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: 9 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -55.868067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.868067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.868067 (E_RNA) where: Base-Base interactions energy: -25.709 where: short stacking energy: -25.709 Base-Backbone interact. energy: -0.178 local terms energy: -29.981747 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -50.068666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.068666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.068666 (E_RNA) where: Base-Base interactions energy: -23.105 where: short stacking energy: -23.105 Base-Backbone interact. energy: -0.017 local terms energy: -26.947616 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.751 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -0.858 tors. eta vs tors. theta energy: -5.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -58.848325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.848325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.848325 (E_RNA) where: Base-Base interactions energy: -37.102 where: short stacking energy: -16.209 Base-Backbone interact. energy: -0.000 local terms energy: -21.745959 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.576 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: 1.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -108.695791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.695791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.695791 (E_RNA) where: Base-Base interactions energy: -70.931 where: short stacking energy: -35.581 Base-Backbone interact. energy: -1.017 local terms energy: -36.747463 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -6.586 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -7.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -107.793362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.793362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.793362 (E_RNA) where: Base-Base interactions energy: -70.409 where: short stacking energy: -34.699 Base-Backbone interact. energy: -0.745 local terms energy: -36.638956 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -6.317 flat angles C4'-P-C4' energy: -8.638 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -7.658 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: 299 Temperature: 1.000000 Total energy: -112.944333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.944333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.944333 (E_RNA) where: Base-Base interactions energy: -82.239 where: short stacking energy: -33.910 Base-Backbone interact. energy: -0.034 local terms energy: -30.671352 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -5.893 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: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -103.953958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.953958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.953958 (E_RNA) where: Base-Base interactions energy: -68.984 where: short stacking energy: -35.075 Base-Backbone interact. energy: -0.001 local terms energy: -34.969175 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -6.191 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: 10 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -96.491001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.491001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.491001 (E_RNA) where: Base-Base interactions energy: -63.937 where: short stacking energy: -29.087 Base-Backbone interact. energy: -0.063 local terms energy: -32.491827 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -4.685 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: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -85.723113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.723113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.723113 (E_RNA) where: Base-Base interactions energy: -57.342 where: short stacking energy: -26.512 Base-Backbone interact. energy: -0.001 local terms energy: -28.380016 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -4.512 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: 7, replica: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -62.763131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.763131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.763131 (E_RNA) where: Base-Base interactions energy: -30.440 where: short stacking energy: -30.440 Base-Backbone interact. energy: -0.345 local terms energy: -31.979113 where: bonds (distance) C4'-P energy: -6.237 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -56.119824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.119824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.119824 (E_RNA) where: Base-Base interactions energy: -24.936 where: short stacking energy: -24.936 Base-Backbone interact. energy: -0.003 local terms energy: -31.180051 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -5.722 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: 9, replica: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -58.422705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.422705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.422705 (E_RNA) where: Base-Base interactions energy: -27.713 where: short stacking energy: -27.713 Base-Backbone interact. energy: -0.000 local terms energy: -30.709345 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -7.530 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -2.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -48.397261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.397261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.397261 (E_RNA) where: Base-Base interactions energy: -19.238 where: short stacking energy: -16.507 Base-Backbone interact. energy: -0.018 local terms energy: -29.141469 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.403 flat angles P-C4'-P energy: 1.765 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: 1, replica: 7 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -108.242379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.242379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.242379 (E_RNA) where: Base-Base interactions energy: -71.940 where: short stacking energy: -35.318 Base-Backbone interact. energy: -0.017 local terms energy: -36.284905 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -8.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -110.067903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.067903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.067903 (E_RNA) where: Base-Base interactions energy: -71.140 where: short stacking energy: -35.178 Base-Backbone interact. energy: -1.369 local terms energy: -37.558816 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.810 flat angles P-C4'-P energy: -6.441 tors. eta vs tors. theta energy: -6.238 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: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -105.275848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.275848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.275848 (E_RNA) where: Base-Base interactions energy: -69.025 where: short stacking energy: -35.073 Base-Backbone interact. energy: -0.420 local terms energy: -35.831271 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -6.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -110.643494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.643494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.643494 (E_RNA) where: Base-Base interactions energy: -81.803 where: short stacking energy: -29.124 Base-Backbone interact. energy: -0.045 local terms energy: -28.795154 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.560 flat angles P-C4'-P energy: -1.544 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -104.300423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.300423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.300423 (E_RNA) where: Base-Base interactions energy: -69.804 where: short stacking energy: -35.969 Base-Backbone interact. energy: -0.621 local terms energy: -33.876210 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -6.560 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: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -97.620376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.620376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.620376 (E_RNA) where: Base-Base interactions energy: -61.772 where: short stacking energy: -31.990 Base-Backbone interact. energy: -0.033 local terms energy: -35.815518 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -9.360 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -5.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -70.681945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.681945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.681945 (E_RNA) where: Base-Base interactions energy: -36.649 where: short stacking energy: -36.649 Base-Backbone interact. energy: 0.983 local terms energy: -35.015815 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -9.100 flat angles P-C4'-P energy: -0.173 tors. eta vs tors. theta energy: -10.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -58.684319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.684319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.684319 (E_RNA) where: Base-Base interactions energy: -28.889 where: short stacking energy: -28.889 Base-Backbone interact. energy: -0.024 local terms energy: -29.771801 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -6.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -51.764689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.764689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.764689 (E_RNA) where: Base-Base interactions energy: -31.812 where: short stacking energy: -31.812 Base-Backbone interact. energy: -0.054 local terms energy: -19.898901 where: bonds (distance) C4'-P energy: -3.510 bonds (distance) P-C4' energy: -7.817 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: 0.358 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -53.074193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.074193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.074193 (E_RNA) where: Base-Base interactions energy: -25.557 where: short stacking energy: -25.557 Base-Backbone interact. energy: -0.419 local terms energy: -27.098475 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -3.252 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: 7 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -106.329261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.329261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.329261 (E_RNA) where: Base-Base interactions energy: -72.224 where: short stacking energy: -36.988 Base-Backbone interact. energy: -0.515 local terms energy: -33.590467 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -7.730 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: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -109.497901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.497901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.497901 (E_RNA) where: Base-Base interactions energy: -73.424 where: short stacking energy: -37.541 Base-Backbone interact. energy: -1.308 local terms energy: -34.765336 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -6.293 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: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -116.056688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.056688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.056688 (E_RNA) where: Base-Base interactions energy: -80.989 where: short stacking energy: -36.910 Base-Backbone interact. energy: -0.153 local terms energy: -34.915237 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -7.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -97.252102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.252102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.252102 (E_RNA) where: Base-Base interactions energy: -62.602 where: short stacking energy: -31.947 Base-Backbone interact. energy: -0.038 local terms energy: -34.611417 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -9.271 flat angles P-C4'-P energy: -2.993 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: 5, replica: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -107.403597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.403597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.403597 (E_RNA) where: Base-Base interactions energy: -78.714 where: short stacking energy: -32.527 Base-Backbone interact. energy: -0.042 local terms energy: -28.647700 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -1.315 tors. eta vs tors. theta energy: -5.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -99.432989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.432989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.432989 (E_RNA) where: Base-Base interactions energy: -70.194 where: short stacking energy: -31.696 Base-Backbone interact. energy: -0.367 local terms energy: -28.871942 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -6.721 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: -6.177 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: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -72.018360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.018360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.018360 (E_RNA) where: Base-Base interactions energy: -43.032 where: short stacking energy: -21.491 Base-Backbone interact. energy: -0.021 local terms energy: -28.964985 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -6.962 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -5.078 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: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -51.608400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.608400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.608400 (E_RNA) where: Base-Base interactions energy: -24.988 where: short stacking energy: -21.077 Base-Backbone interact. energy: -0.006 local terms energy: -26.615103 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: 1.750 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: 9, replica: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -62.657543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.657543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.657543 (E_RNA) where: Base-Base interactions energy: -32.447 where: short stacking energy: -32.447 Base-Backbone interact. energy: -0.000 local terms energy: -30.210981 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -6.162 tors. eta vs tors. theta energy: -7.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -57.215156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.215156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.215156 (E_RNA) where: Base-Base interactions energy: -25.296 where: short stacking energy: -20.865 Base-Backbone interact. energy: -0.017 local terms energy: -31.902513 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -7.117 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: 7 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -107.977099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.977099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.977099 (E_RNA) where: Base-Base interactions energy: -71.356 where: short stacking energy: -34.455 Base-Backbone interact. energy: -1.339 local terms energy: -35.281944 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -8.614 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -6.674 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: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -111.788659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.788659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.788659 (E_RNA) where: Base-Base interactions energy: -72.406 where: short stacking energy: -36.592 Base-Backbone interact. energy: -1.918 local terms energy: -37.465204 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.672 flat angles P-C4'-P energy: -6.411 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -98.641327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.641327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.641327 (E_RNA) where: Base-Base interactions energy: -65.670 where: short stacking energy: -30.613 Base-Backbone interact. energy: -0.214 local terms energy: -32.757614 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -1.260 tors. eta vs tors. theta energy: -9.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -107.258831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.258831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.258831 (E_RNA) where: Base-Base interactions energy: -70.050 where: short stacking energy: -34.691 Base-Backbone interact. energy: -0.967 local terms energy: -36.241878 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.012 flat angles C4'-P-C4' energy: -8.804 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -7.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -101.107017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.107017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.107017 (E_RNA) where: Base-Base interactions energy: -70.384 where: short stacking energy: -31.290 Base-Backbone interact. energy: -0.011 local terms energy: -30.712064 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -1.671 tors. eta vs tors. theta energy: -6.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -95.141033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.141033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.141033 (E_RNA) where: Base-Base interactions energy: -63.728 where: short stacking energy: -28.053 Base-Backbone interact. energy: -0.346 local terms energy: -31.067954 where: bonds (distance) C4'-P energy: -5.663 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -6.115 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: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -66.894436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.894436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.894436 (E_RNA) where: Base-Base interactions energy: -37.859 where: short stacking energy: -19.631 Base-Backbone interact. energy: -0.121 local terms energy: -28.914988 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -4.604 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: 8, replica: 9 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -95.141258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.141258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.141258 (E_RNA) where: Base-Base interactions energy: -65.398 where: short stacking energy: -31.229 Base-Backbone interact. energy: -0.004 local terms energy: -29.739248 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -47.618277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.618277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.618277 (E_RNA) where: Base-Base interactions energy: -19.689 where: short stacking energy: -15.906 Base-Backbone interact. energy: -0.002 local terms energy: -27.926924 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.710 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -47.012433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.012433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.012433 (E_RNA) where: Base-Base interactions energy: -22.787 where: short stacking energy: -16.493 Base-Backbone interact. energy: 1.956 local terms energy: -26.181417 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.354 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -112.360013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.360013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.360013 (E_RNA) where: Base-Base interactions energy: -72.302 where: short stacking energy: -36.250 Base-Backbone interact. energy: -1.794 local terms energy: -38.264303 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -6.333 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: 2, replica: 10 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -110.069287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.069287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.069287 (E_RNA) where: Base-Base interactions energy: -74.663 where: short stacking energy: -37.625 Base-Backbone interact. energy: -1.025 local terms energy: -34.381614 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -4.957 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: 3, replica: 8 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -105.767304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.767304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.767304 (E_RNA) where: Base-Base interactions energy: -68.695 where: short stacking energy: -35.707 Base-Backbone interact. energy: -1.762 local terms energy: -35.310051 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -6.169 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: 303 Temperature: 1.050000 Total energy: -102.831964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.831964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.831964 (E_RNA) where: Base-Base interactions energy: -70.268 where: short stacking energy: -36.489 Base-Backbone interact. energy: -0.017 local terms energy: -32.547109 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -7.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -96.246112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.246112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.246112 (E_RNA) where: Base-Base interactions energy: -63.918 where: short stacking energy: -29.567 Base-Backbone interact. energy: -1.443 local terms energy: -30.885547 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -3.950 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: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -91.930347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.930347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.930347 (E_RNA) where: Base-Base interactions energy: -61.048 where: short stacking energy: -31.494 Base-Backbone interact. energy: -0.080 local terms energy: -30.801874 where: bonds (distance) C4'-P energy: -6.281 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -5.819 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -63.917179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.917179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.917179 (E_RNA) where: Base-Base interactions energy: -37.964 where: short stacking energy: -25.878 Base-Backbone interact. energy: -0.288 local terms energy: -25.665014 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -86.873300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.873300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.873300 (E_RNA) where: Base-Base interactions energy: -58.258 where: short stacking energy: -26.204 Base-Backbone interact. energy: -0.001 local terms energy: -28.614506 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -4.346 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: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -54.229559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.229559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.229559 (E_RNA) where: Base-Base interactions energy: -20.317 where: short stacking energy: -20.317 Base-Backbone interact. energy: -0.078 local terms energy: -33.834240 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -48.540552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.540552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.540552 (E_RNA) where: Base-Base interactions energy: -20.215 where: short stacking energy: -20.215 Base-Backbone interact. energy: -0.003 local terms energy: -28.322461 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -106.294244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.294244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.294244 (E_RNA) where: Base-Base interactions energy: -70.217 where: short stacking energy: -37.054 Base-Backbone interact. energy: -0.024 local terms energy: -36.053666 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.534 flat angles P-C4'-P energy: -3.088 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: 2, replica: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -104.371593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.371593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.371593 (E_RNA) where: Base-Base interactions energy: -72.841 where: short stacking energy: -36.225 Base-Backbone interact. energy: -0.129 local terms energy: -31.401850 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -104.150816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.150816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.150816 (E_RNA) where: Base-Base interactions energy: -67.313 where: short stacking energy: -36.642 Base-Backbone interact. energy: -0.002 local terms energy: -36.836022 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -8.319 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -6.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -98.778555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.778555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.778555 (E_RNA) where: Base-Base interactions energy: -71.996 where: short stacking energy: -26.461 Base-Backbone interact. energy: -0.001 local terms energy: -26.780778 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -4.907 flat angles C4'-P-C4' energy: -8.043 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -2.639 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: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -88.901896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.901896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.901896 (E_RNA) where: Base-Base interactions energy: -61.281 where: short stacking energy: -25.093 Base-Backbone interact. energy: -0.282 local terms energy: -27.338705 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -105.188413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.188413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.188413 (E_RNA) where: Base-Base interactions energy: -70.796 where: short stacking energy: -35.029 Base-Backbone interact. energy: -1.175 local terms energy: -33.218197 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -5.522 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: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -88.580108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.580108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.580108 (E_RNA) where: Base-Base interactions energy: -57.863 where: short stacking energy: -26.234 Base-Backbone interact. energy: -0.042 local terms energy: -30.674864 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -1.843 tors. eta vs tors. theta energy: -6.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -54.462173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.462173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.462173 (E_RNA) where: Base-Base interactions energy: -28.416 where: short stacking energy: -28.416 Base-Backbone interact. energy: -0.069 local terms energy: -25.977558 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -63.356689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.356689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.356689 (E_RNA) where: Base-Base interactions energy: -36.468 where: short stacking energy: -21.832 Base-Backbone interact. energy: 1.955 local terms energy: -28.843370 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: 0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -54.312145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.312145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.312145 (E_RNA) where: Base-Base interactions energy: -28.638 where: short stacking energy: -28.638 Base-Backbone interact. energy: -0.003 local terms energy: -25.670882 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -2.310 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: 7 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -108.349523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.349523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.349523 (E_RNA) where: Base-Base interactions energy: -71.816 where: short stacking energy: -38.818 Base-Backbone interact. energy: -0.107 local terms energy: -36.426417 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -3.892 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: 2, replica: 3 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -105.318041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.318041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.318041 (E_RNA) where: Base-Base interactions energy: -64.789 where: short stacking energy: -36.022 Base-Backbone interact. energy: -0.003 local terms energy: -40.526785 where: bonds (distance) C4'-P energy: -6.383 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.944 flat angles P-C4'-P energy: -7.678 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -112.068556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.068556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.068556 (E_RNA) where: Base-Base interactions energy: -75.985 where: short stacking energy: -33.579 Base-Backbone interact. energy: 0.066 local terms energy: -36.149469 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.773 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -7.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -102.728991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.728991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.728991 (E_RNA) where: Base-Base interactions energy: -74.479 where: short stacking energy: -29.633 Base-Backbone interact. energy: -0.003 local terms energy: -28.246967 where: bonds (distance) C4'-P energy: -5.895 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: -4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -102.634057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.634057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.634057 (E_RNA) where: Base-Base interactions energy: -69.231 where: short stacking energy: -34.945 Base-Backbone interact. energy: -0.425 local terms energy: -32.978909 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -6.532 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -7.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -101.091403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.091403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.091403 (E_RNA) where: Base-Base interactions energy: -67.254 where: short stacking energy: -34.912 Base-Backbone interact. energy: -1.265 local terms energy: -32.573184 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -4.544 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: 7, replica: 5 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -98.371672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.371672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.371672 (E_RNA) where: Base-Base interactions energy: -66.278 where: short stacking energy: -32.491 Base-Backbone interact. energy: -1.152 local terms energy: -30.941605 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -6.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -53.050503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.050503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.050503 (E_RNA) where: Base-Base interactions energy: -30.729 where: short stacking energy: -22.644 Base-Backbone interact. energy: -0.004 local terms energy: -22.317789 where: bonds (distance) C4'-P energy: -2.191 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -5.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -87.394878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.394878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.394878 (E_RNA) where: Base-Base interactions energy: -57.304 where: short stacking energy: -29.024 Base-Backbone interact. energy: -0.684 local terms energy: -29.407387 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.528 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -52.604775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.604775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.604775 (E_RNA) where: Base-Base interactions energy: -22.859 where: short stacking energy: -22.859 Base-Backbone interact. energy: -0.000 local terms energy: -29.745500 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -5.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -109.091838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.091838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.091838 (E_RNA) where: Base-Base interactions energy: -73.169 where: short stacking energy: -37.453 Base-Backbone interact. energy: -1.909 local terms energy: -34.013339 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -4.448 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: 2, replica: 3 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -112.125377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.125377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.125377 (E_RNA) where: Base-Base interactions energy: -83.108 where: short stacking energy: -33.302 Base-Backbone interact. energy: -0.007 local terms energy: -29.010363 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -0.519 tors. eta vs tors. theta energy: -6.020 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: 2 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -100.830896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.830896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.830896 (E_RNA) where: Base-Base interactions energy: -69.414 where: short stacking energy: -34.165 Base-Backbone interact. energy: -0.002 local terms energy: -31.415133 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -5.336 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: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -104.103328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.103328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.103328 (E_RNA) where: Base-Base interactions energy: -65.605 where: short stacking energy: -36.572 Base-Backbone interact. energy: -0.793 local terms energy: -37.705235 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -8.087 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: 9 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -101.877167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.877167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.877167 (E_RNA) where: Base-Base interactions energy: -67.058 where: short stacking energy: -31.766 Base-Backbone interact. energy: -0.012 local terms energy: -34.807468 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -7.924 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: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -104.689103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.689103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.689103 (E_RNA) where: Base-Base interactions energy: -70.124 where: short stacking energy: -34.609 Base-Backbone interact. energy: -0.912 local terms energy: -33.652727 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -5.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -93.495775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.495775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.495775 (E_RNA) where: Base-Base interactions energy: -62.503 where: short stacking energy: -26.419 Base-Backbone interact. energy: -0.590 local terms energy: -30.402672 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -2.238 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -6.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -61.426869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.426869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.426869 (E_RNA) where: Base-Base interactions energy: -34.487 where: short stacking energy: -28.525 Base-Backbone interact. energy: -0.062 local terms energy: -26.877192 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -3.313 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -6.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -82.055367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.055367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.055367 (E_RNA) where: Base-Base interactions energy: -57.902 where: short stacking energy: -24.876 Base-Backbone interact. energy: -0.302 local terms energy: -23.851382 where: bonds (distance) C4'-P energy: -3.788 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -3.486 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: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -48.725549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.725549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.725549 (E_RNA) where: Base-Base interactions energy: -24.192 where: short stacking energy: -11.974 Base-Backbone interact. energy: -0.154 local terms energy: -24.379682 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -3.441 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -114.191581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.191581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.191581 (E_RNA) where: Base-Base interactions energy: -73.883 where: short stacking energy: -36.769 Base-Backbone interact. energy: -0.670 local terms energy: -39.638828 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -7.278 tors. eta vs tors. theta energy: -7.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -109.698560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.698560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.698560 (E_RNA) where: Base-Base interactions energy: -73.789 where: short stacking energy: -37.662 Base-Backbone interact. energy: -0.178 local terms energy: -35.731444 where: bonds (distance) C4'-P energy: -7.174 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -9.144 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -6.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -111.683047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.683047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.683047 (E_RNA) where: Base-Base interactions energy: -85.847 where: short stacking energy: -35.293 Base-Backbone interact. energy: 0.789 local terms energy: -26.625398 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: 0.219 tors. eta vs tors. theta energy: -5.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -108.722542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.722542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.722542 (E_RNA) where: Base-Base interactions energy: -70.845 where: short stacking energy: -36.595 Base-Backbone interact. energy: -1.888 local terms energy: -35.989696 where: bonds (distance) C4'-P energy: -7.366 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -9.095 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: 307 Temperature: 1.100000 Total energy: -100.530634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.530634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.530634 (E_RNA) where: Base-Base interactions energy: -73.528 where: short stacking energy: -32.040 Base-Backbone interact. energy: -0.336 local terms energy: -26.667295 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: 0.948 tors. eta vs tors. theta energy: -6.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -98.670246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.670246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.670246 (E_RNA) where: Base-Base interactions energy: -64.427 where: short stacking energy: -32.396 Base-Backbone interact. energy: -0.010 local terms energy: -34.233283 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -7.839 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -7.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -88.406973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.406973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.406973 (E_RNA) where: Base-Base interactions energy: -57.003 where: short stacking energy: -26.144 Base-Backbone interact. energy: -1.608 local terms energy: -29.796165 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -8.294 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -2.694 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: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -62.173991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.173991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.173991 (E_RNA) where: Base-Base interactions energy: -31.376 where: short stacking energy: -29.841 Base-Backbone interact. energy: -0.004 local terms energy: -30.793381 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -1.596 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: 9, replica: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -51.395684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.395684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.395684 (E_RNA) where: Base-Base interactions energy: -19.484 where: short stacking energy: -19.484 Base-Backbone interact. energy: -0.000 local terms energy: -31.911591 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.456 flat angles P-C4'-P energy: -5.810 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: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -56.090307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.090307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.090307 (E_RNA) where: Base-Base interactions energy: -22.113 where: short stacking energy: -22.113 Base-Backbone interact. energy: -0.000 local terms energy: -33.977483 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -4.750 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: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -115.285825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.285825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.285825 (E_RNA) where: Base-Base interactions energy: -85.763 where: short stacking energy: -33.505 Base-Backbone interact. energy: -0.043 local terms energy: -29.479325 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -1.011 tors. eta vs tors. theta energy: -6.808 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: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -106.811418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.811418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.811418 (E_RNA) where: Base-Base interactions energy: -72.626 where: short stacking energy: -35.241 Base-Backbone interact. energy: -0.519 local terms energy: -33.666084 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -7.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -105.983137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.983137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.983137 (E_RNA) where: Base-Base interactions energy: -70.417 where: short stacking energy: -35.161 Base-Backbone interact. energy: -0.331 local terms energy: -35.234465 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -4.928 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: 4, replica: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -108.613316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.613316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.613316 (E_RNA) where: Base-Base interactions energy: -73.409 where: short stacking energy: -37.127 Base-Backbone interact. energy: -1.422 local terms energy: -33.782881 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -8.226 flat angles P-C4'-P energy: -5.899 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: 5, replica: 5 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -102.029472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.029472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.029472 (E_RNA) where: Base-Base interactions energy: -65.142 where: short stacking energy: -30.731 Base-Backbone interact. energy: -1.001 local terms energy: -35.886408 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -5.893 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: 10 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -105.293475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.293475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.293475 (E_RNA) where: Base-Base interactions energy: -70.102 where: short stacking energy: -35.412 Base-Backbone interact. energy: -0.001 local terms energy: -35.191201 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -7.068 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: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -59.211795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.211795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.211795 (E_RNA) where: Base-Base interactions energy: -28.292 where: short stacking energy: -18.404 Base-Backbone interact. energy: -0.027 local terms energy: -30.892840 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.049 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -4.260 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: 8 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -89.622747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.622747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.622747 (E_RNA) where: Base-Base interactions energy: -63.109 where: short stacking energy: -29.204 Base-Backbone interact. energy: -1.343 local terms energy: -25.170152 where: bonds (distance) C4'-P energy: -4.305 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -4.447 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: 9, replica: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -59.928869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.928869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.928869 (E_RNA) where: Base-Base interactions energy: -27.865 where: short stacking energy: -27.865 Base-Backbone interact. energy: -0.017 local terms energy: -32.047406 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -5.489 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -7.847 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: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -50.488935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.488935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.488935 (E_RNA) where: Base-Base interactions energy: -22.122 where: short stacking energy: -22.122 Base-Backbone interact. energy: -0.001 local terms energy: -28.365859 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -6.574 tors. eta vs tors. theta energy: -2.148 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: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -108.714112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.714112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.714112 (E_RNA) where: Base-Base interactions energy: -72.599 where: short stacking energy: -36.617 Base-Backbone interact. energy: -0.018 local terms energy: -36.096630 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.812 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -6.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -111.318401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.318401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.318401 (E_RNA) where: Base-Base interactions energy: -73.694 where: short stacking energy: -36.557 Base-Backbone interact. energy: -1.044 local terms energy: -36.580775 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.154 flat angles P-C4'-P energy: -4.918 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: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -108.242621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.242621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.242621 (E_RNA) where: Base-Base interactions energy: -70.156 where: short stacking energy: -35.368 Base-Backbone interact. energy: 0.016 local terms energy: -38.102596 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.794 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -7.068 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: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -108.405269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.405269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.405269 (E_RNA) where: Base-Base interactions energy: -75.888 where: short stacking energy: -33.070 Base-Backbone interact. energy: 0.548 local terms energy: -33.064740 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.103 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -5.379 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: 309 Temperature: 1.100000 Total energy: -104.266723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.266723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.266723 (E_RNA) where: Base-Base interactions energy: -70.078 where: short stacking energy: -34.704 Base-Backbone interact. energy: -1.720 local terms energy: -32.468809 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -5.117 flat angles C4'-P-C4' energy: -8.187 flat angles P-C4'-P energy: -4.977 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: 6, replica: 10 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -99.521389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.521389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.521389 (E_RNA) where: Base-Base interactions energy: -69.646 where: short stacking energy: -31.305 Base-Backbone interact. energy: 0.304 local terms energy: -30.178989 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -0.145 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: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -62.503761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.503761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.503761 (E_RNA) where: Base-Base interactions energy: -27.972 where: short stacking energy: -27.972 Base-Backbone interact. energy: -0.000 local terms energy: -34.531429 where: bonds (distance) C4'-P energy: -5.472 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -85.605308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.605308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.605308 (E_RNA) where: Base-Base interactions energy: -52.385 where: short stacking energy: -27.059 Base-Backbone interact. energy: 0.672 local terms energy: -33.892616 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -5.439 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: 9, replica: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -48.288523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.288523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.288523 (E_RNA) where: Base-Base interactions energy: -21.128 where: short stacking energy: -21.128 Base-Backbone interact. energy: -0.000 local terms energy: -27.159826 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -3.566 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: 10, replica: 6 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -56.407036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.407036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.407036 (E_RNA) where: Base-Base interactions energy: -28.907 where: short stacking energy: -17.196 Base-Backbone interact. energy: -0.015 local terms energy: -27.485329 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -1.312 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: 7 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -112.709793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.709793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.709793 (E_RNA) where: Base-Base interactions energy: -73.037 where: short stacking energy: -35.633 Base-Backbone interact. energy: -1.129 local terms energy: -38.543806 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.377 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -7.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -109.959777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.959777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.959777 (E_RNA) where: Base-Base interactions energy: -69.986 where: short stacking energy: -35.903 Base-Backbone interact. energy: -1.064 local terms energy: -38.908985 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -6.185 tors. eta vs tors. theta energy: -7.126 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: 3, replica: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -107.439789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.439789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.439789 (E_RNA) where: Base-Base interactions energy: -73.976 where: short stacking energy: -36.538 Base-Backbone interact. energy: -0.211 local terms energy: -33.252626 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.349 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -5.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -103.232905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.232905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.232905 (E_RNA) where: Base-Base interactions energy: -70.021 where: short stacking energy: -31.599 Base-Backbone interact. energy: -0.105 local terms energy: -33.106409 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -0.014 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: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -103.192338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.192338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.192338 (E_RNA) where: Base-Base interactions energy: -68.618 where: short stacking energy: -37.287 Base-Backbone interact. energy: -0.084 local terms energy: -34.490760 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -7.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -100.160597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.160597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.160597 (E_RNA) where: Base-Base interactions energy: -66.946 where: short stacking energy: -34.849 Base-Backbone interact. energy: -0.621 local terms energy: -32.592777 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -7.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -95.726959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.726959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.726959 (E_RNA) where: Base-Base interactions energy: -61.576 where: short stacking energy: -28.977 Base-Backbone interact. energy: -1.116 local terms energy: -33.035295 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.829 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -5.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -54.627516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.627516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.627516 (E_RNA) where: Base-Base interactions energy: -25.341 where: short stacking energy: -25.341 Base-Backbone interact. energy: -0.000 local terms energy: -29.286739 where: bonds (distance) C4'-P energy: -4.359 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -2.341 tors. eta vs tors. theta energy: -6.835 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: 6 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -53.294174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.294174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.294174 (E_RNA) where: Base-Base interactions energy: -22.452 where: short stacking energy: -9.448 Base-Backbone interact. energy: -0.744 local terms energy: -30.098312 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -4.546 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: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -52.811763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.811763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.811763 (E_RNA) where: Base-Base interactions energy: -26.276 where: short stacking energy: -26.276 Base-Backbone interact. energy: -0.119 local terms energy: -26.416979 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -3.964 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: 1, replica: 7 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -109.761362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.761362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.761362 (E_RNA) where: Base-Base interactions energy: -72.731 where: short stacking energy: -37.420 Base-Backbone interact. energy: -1.583 local terms energy: -35.447363 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -8.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -107.422667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.422667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.422667 (E_RNA) where: Base-Base interactions energy: -70.290 where: short stacking energy: -34.826 Base-Backbone interact. energy: -0.643 local terms energy: -36.489368 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -6.719 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: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -102.500262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.500262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.500262 (E_RNA) where: Base-Base interactions energy: -66.334 where: short stacking energy: -27.384 Base-Backbone interact. energy: -0.002 local terms energy: -36.164020 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -8.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -105.041694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.041694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.041694 (E_RNA) where: Base-Base interactions energy: -69.940 where: short stacking energy: -34.659 Base-Backbone interact. energy: -0.000 local terms energy: -35.101738 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -6.302 tors. eta vs tors. theta energy: -5.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -100.826610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.826610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.826610 (E_RNA) where: Base-Base interactions energy: -63.857 where: short stacking energy: -32.062 Base-Backbone interact. energy: -0.061 local terms energy: -36.908489 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -6.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -100.424717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.424717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.424717 (E_RNA) where: Base-Base interactions energy: -66.712 where: short stacking energy: -35.188 Base-Backbone interact. energy: -0.990 local terms energy: -32.722604 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -8.653 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -4.923 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: 7, replica: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -95.504704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.504704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.504704 (E_RNA) where: Base-Base interactions energy: -64.317 where: short stacking energy: -33.164 Base-Backbone interact. energy: -0.019 local terms energy: -31.168889 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -3.834 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: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -60.070535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.070535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.070535 (E_RNA) where: Base-Base interactions energy: -29.531 where: short stacking energy: -29.531 Base-Backbone interact. energy: -0.000 local terms energy: -30.539827 where: bonds (distance) C4'-P energy: -5.689 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.066 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -5.246 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: 9, replica: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -47.904287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.904287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.904287 (E_RNA) where: Base-Base interactions energy: -20.086 where: short stacking energy: -19.310 Base-Backbone interact. energy: -0.003 local terms energy: -27.815601 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -4.140 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -4.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -56.555412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.555412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.555412 (E_RNA) where: Base-Base interactions energy: -25.899 where: short stacking energy: -25.899 Base-Backbone interact. energy: -0.000 local terms energy: -30.656598 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -5.221 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -7.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -108.666616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.666616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.666616 (E_RNA) where: Base-Base interactions energy: -76.371 where: short stacking energy: -35.344 Base-Backbone interact. energy: 0.153 local terms energy: -32.447905 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -108.392500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.392500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.392500 (E_RNA) where: Base-Base interactions energy: -74.761 where: short stacking energy: -38.242 Base-Backbone interact. energy: -0.298 local terms energy: -33.333962 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -7.326 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: 3, replica: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -104.164237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.164237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.164237 (E_RNA) where: Base-Base interactions energy: -66.971 where: short stacking energy: -29.801 Base-Backbone interact. energy: -1.487 local terms energy: -35.706678 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -5.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -95.060810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.060810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.060810 (E_RNA) where: Base-Base interactions energy: -63.292 where: short stacking energy: -29.690 Base-Backbone interact. energy: -0.549 local terms energy: -31.219756 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.205 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -4.452 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: 5, replica: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -104.235569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.235569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.235569 (E_RNA) where: Base-Base interactions energy: -68.966 where: short stacking energy: -34.149 Base-Backbone interact. energy: -0.602 local terms energy: -34.667657 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -5.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -100.156020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.156020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.156020 (E_RNA) where: Base-Base interactions energy: -66.963 where: short stacking energy: -32.700 Base-Backbone interact. energy: -0.532 local terms energy: -32.661362 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -6.608 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: 7, replica: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -90.705131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.705131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.705131 (E_RNA) where: Base-Base interactions energy: -60.421 where: short stacking energy: -26.418 Base-Backbone interact. energy: -0.335 local terms energy: -29.949900 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.337 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -5.288 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: 8, replica: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -64.319532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.319532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.319532 (E_RNA) where: Base-Base interactions energy: -35.466 where: short stacking energy: -16.861 Base-Backbone interact. energy: -0.252 local terms energy: -28.601255 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -8.255 flat angles P-C4'-P energy: -2.926 tors. eta vs tors. theta energy: -2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -49.264152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.264152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.264152 (E_RNA) where: Base-Base interactions energy: -16.497 where: short stacking energy: -16.497 Base-Backbone interact. energy: -0.015 local terms energy: -32.751880 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -5.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -55.384726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.384726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.384726 (E_RNA) where: Base-Base interactions energy: -28.844 where: short stacking energy: -28.844 Base-Backbone interact. energy: -0.055 local terms energy: -26.485482 where: bonds (distance) C4'-P energy: -1.879 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -5.532 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: 1, replica: 7 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -110.132655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.132655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.132655 (E_RNA) where: Base-Base interactions energy: -72.199 where: short stacking energy: -35.100 Base-Backbone interact. energy: -1.077 local terms energy: -36.856854 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -8.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -108.410201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.410201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.410201 (E_RNA) where: Base-Base interactions energy: -68.675 where: short stacking energy: -33.414 Base-Backbone interact. energy: -2.053 local terms energy: -37.682007 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -6.517 tors. eta vs tors. theta energy: -6.574 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: 9 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -108.634138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.634138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.634138 (E_RNA) where: Base-Base interactions energy: -72.519 where: short stacking energy: -35.420 Base-Backbone interact. energy: 0.469 local terms energy: -36.584183 where: bonds (distance) C4'-P energy: -8.523 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -7.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -100.396682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.396682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.396682 (E_RNA) where: Base-Base interactions energy: -68.561 where: short stacking energy: -36.854 Base-Backbone interact. energy: -0.065 local terms energy: -31.770422 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -8.563 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -7.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -96.360891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.360891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.360891 (E_RNA) where: Base-Base interactions energy: -66.408 where: short stacking energy: -34.227 Base-Backbone interact. energy: -0.028 local terms energy: -29.924730 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.157 tors. eta vs tors. theta energy: -6.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -105.372728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.372728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.372728 (E_RNA) where: Base-Base interactions energy: -67.024 where: short stacking energy: -30.455 Base-Backbone interact. energy: -0.000 local terms energy: -38.348112 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -7.650 tors. eta vs tors. theta energy: -6.400 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: 10 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -98.500839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.500839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.500839 (E_RNA) where: Base-Base interactions energy: -64.548 where: short stacking energy: -28.915 Base-Backbone interact. energy: -0.004 local terms energy: -33.948939 where: bonds (distance) C4'-P energy: -7.468 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -8.619 flat angles P-C4'-P energy: -5.431 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: 8, replica: 1 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -54.253832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.253832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.253832 (E_RNA) where: Base-Base interactions energy: -26.059 where: short stacking energy: -13.820 Base-Backbone interact. energy: -0.162 local terms energy: -28.032884 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -70.646163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.646163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.646163 (E_RNA) where: Base-Base interactions energy: -39.758 where: short stacking energy: -21.416 Base-Backbone interact. energy: -0.217 local terms energy: -30.671714 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -5.251 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: 10, replica: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -52.530616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.530616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.530616 (E_RNA) where: Base-Base interactions energy: -22.925 where: short stacking energy: -22.838 Base-Backbone interact. energy: -0.046 local terms energy: -29.559152 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -7.533 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -111.573207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.573207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.573207 (E_RNA) where: Base-Base interactions energy: -74.636 where: short stacking energy: -32.757 Base-Backbone interact. energy: -0.053 local terms energy: -36.883976 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -5.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -106.262657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.262657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.262657 (E_RNA) where: Base-Base interactions energy: -72.575 where: short stacking energy: -35.608 Base-Backbone interact. energy: -1.222 local terms energy: -32.465286 where: bonds (distance) C4'-P energy: -6.785 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -6.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -108.945553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.945553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.945553 (E_RNA) where: Base-Base interactions energy: -72.391 where: short stacking energy: -36.227 Base-Backbone interact. energy: -0.061 local terms energy: -36.493289 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -4.227 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: 4, replica: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -107.638613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.638613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.638613 (E_RNA) where: Base-Base interactions energy: -73.158 where: short stacking energy: -36.913 Base-Backbone interact. energy: -1.803 local terms energy: -32.677251 where: bonds (distance) C4'-P energy: -8.399 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -2.169 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -6.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -86.037237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.037237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.037237 (E_RNA) where: Base-Base interactions energy: -52.652 where: short stacking energy: -22.466 Base-Backbone interact. energy: -0.080 local terms energy: -33.305353 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -88.590465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.590465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.590465 (E_RNA) where: Base-Base interactions energy: -58.585 where: short stacking energy: -27.574 Base-Backbone interact. energy: 0.158 local terms energy: -30.163436 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -6.855 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -5.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -88.904630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.904630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.904630 (E_RNA) where: Base-Base interactions energy: -58.665 where: short stacking energy: -27.593 Base-Backbone interact. energy: 0.780 local terms energy: -31.020356 where: bonds (distance) C4'-P energy: -3.759 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -3.208 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: 1 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -54.073181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.073181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.073181 (E_RNA) where: Base-Base interactions energy: -23.997 where: short stacking energy: -20.290 Base-Backbone interact. energy: -0.003 local terms energy: -30.073340 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -53.931001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.931001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.931001 (E_RNA) where: Base-Base interactions energy: -28.495 where: short stacking energy: -27.733 Base-Backbone interact. energy: -0.098 local terms energy: -25.337750 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -5.557 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -2.219 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: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -54.676403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.676403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.676403 (E_RNA) where: Base-Base interactions energy: -23.249 where: short stacking energy: -13.443 Base-Backbone interact. energy: -0.103 local terms energy: -31.323981 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -5.298 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: 1, replica: 7 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -110.741992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.741992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.741992 (E_RNA) where: Base-Base interactions energy: -71.718 where: short stacking energy: -35.462 Base-Backbone interact. energy: -0.112 local terms energy: -38.911851 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -8.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -107.590233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.590233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.590233 (E_RNA) where: Base-Base interactions energy: -69.255 where: short stacking energy: -35.689 Base-Backbone interact. energy: -0.072 local terms energy: -38.262897 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -9.012 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -7.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -107.925174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.925174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.925174 (E_RNA) where: Base-Base interactions energy: -68.812 where: short stacking energy: -33.336 Base-Backbone interact. energy: -0.134 local terms energy: -38.979021 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -7.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -108.985097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.985097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.985097 (E_RNA) where: Base-Base interactions energy: -74.851 where: short stacking energy: -38.046 Base-Backbone interact. energy: -0.995 local terms energy: -33.139332 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -7.371 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -6.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -97.433309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.433309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.433309 (E_RNA) where: Base-Base interactions energy: -62.858 where: short stacking energy: -31.183 Base-Backbone interact. energy: -0.000 local terms energy: -34.574979 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.103 flat angles P-C4'-P energy: -5.447 tors. eta vs tors. theta energy: -6.572 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: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -62.063753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.063753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.063753 (E_RNA) where: Base-Base interactions energy: -27.851 where: short stacking energy: -27.851 Base-Backbone interact. energy: -0.160 local terms energy: -34.052219 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -5.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -87.189130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.189130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.189130 (E_RNA) where: Base-Base interactions energy: -59.236 where: short stacking energy: -29.934 Base-Backbone interact. energy: -0.001 local terms energy: -27.951636 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -5.514 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -5.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -45.934135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.934135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.934135 (E_RNA) where: Base-Base interactions energy: -16.390 where: short stacking energy: -16.390 Base-Backbone interact. energy: -0.511 local terms energy: -29.033061 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -2.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -47.767941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.767941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.767941 (E_RNA) where: Base-Base interactions energy: -19.690 where: short stacking energy: -13.181 Base-Backbone interact. energy: -0.416 local terms energy: -27.661585 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -3.778 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -54.759857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.759857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.759857 (E_RNA) where: Base-Base interactions energy: -31.333 where: short stacking energy: -27.607 Base-Backbone interact. energy: -0.003 local terms energy: -23.424011 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -2.182 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -106.995569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.995569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.995569 (E_RNA) where: Base-Base interactions energy: -72.781 where: short stacking energy: -36.404 Base-Backbone interact. energy: -0.001 local terms energy: -34.213979 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -110.586634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.586634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.586634 (E_RNA) where: Base-Base interactions energy: -77.104 where: short stacking energy: -32.914 Base-Backbone interact. energy: -0.002 local terms energy: -33.480385 where: bonds (distance) C4'-P energy: -3.341 bonds (distance) P-C4' energy: -7.012 flat angles C4'-P-C4' energy: -9.253 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -8.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -108.770026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.770026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.770026 (E_RNA) where: Base-Base interactions energy: -74.161 where: short stacking energy: -36.877 Base-Backbone interact. energy: -0.276 local terms energy: -34.332619 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.879 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -7.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -107.494398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.494398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.494398 (E_RNA) where: Base-Base interactions energy: -68.156 where: short stacking energy: -33.111 Base-Backbone interact. energy: -1.132 local terms energy: -38.205741 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -7.445 tors. eta vs tors. theta energy: -6.654 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: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -99.501477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.501477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.501477 (E_RNA) where: Base-Base interactions energy: -69.956 where: short stacking energy: -26.689 Base-Backbone interact. energy: -0.148 local terms energy: -29.396905 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.318 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -100.672768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.672768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.672768 (E_RNA) where: Base-Base interactions energy: -67.429 where: short stacking energy: -32.643 Base-Backbone interact. energy: -0.038 local terms energy: -33.205595 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -8.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -61.036768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.036768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.036768 (E_RNA) where: Base-Base interactions energy: -38.338 where: short stacking energy: -12.492 Base-Backbone interact. energy: -0.351 local terms energy: -22.347385 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -1.736 tors. eta vs tors. theta energy: 0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -53.789714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.789714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.789714 (E_RNA) where: Base-Base interactions energy: -32.201 where: short stacking energy: -20.985 Base-Backbone interact. energy: -0.016 local terms energy: -21.572750 where: bonds (distance) C4'-P energy: -2.826 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -2.020 tors. eta vs tors. theta energy: -0.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -53.383725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.383725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.383725 (E_RNA) where: Base-Base interactions energy: -26.315 where: short stacking energy: -26.315 Base-Backbone interact. energy: -0.227 local terms energy: -26.841311 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -5.961 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -69.177754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.177754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.177754 (E_RNA) where: Base-Base interactions energy: -45.461 where: short stacking energy: -20.998 Base-Backbone interact. energy: -0.299 local terms energy: -23.417806 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -8.540 flat angles P-C4'-P energy: -1.553 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: 7 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -114.997176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.997176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.997176 (E_RNA) where: Base-Base interactions energy: -78.970 where: short stacking energy: -33.583 Base-Backbone interact. energy: -0.050 local terms energy: -35.977414 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -4.221 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: 2, replica: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -110.119222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.119222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.119222 (E_RNA) where: Base-Base interactions energy: -72.636 where: short stacking energy: -37.648 Base-Backbone interact. energy: -0.513 local terms energy: -36.970265 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -6.782 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: 3, replica: 9 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -106.080475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.080475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.080475 (E_RNA) where: Base-Base interactions energy: -73.019 where: short stacking energy: -36.494 Base-Backbone interact. energy: -0.025 local terms energy: -33.037117 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -6.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -100.183810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.183810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.183810 (E_RNA) where: Base-Base interactions energy: -67.891 where: short stacking energy: -34.389 Base-Backbone interact. energy: -1.288 local terms energy: -31.004563 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -1.469 tors. eta vs tors. theta energy: -7.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -102.842789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.842789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.842789 (E_RNA) where: Base-Base interactions energy: -68.140 where: short stacking energy: -32.883 Base-Backbone interact. energy: -0.248 local terms energy: -34.454768 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -7.236 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: 10 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -100.853199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.853199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.853199 (E_RNA) where: Base-Base interactions energy: -65.271 where: short stacking energy: -34.746 Base-Backbone interact. energy: -0.006 local terms energy: -35.576307 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.017 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -7.892 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: 4 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -61.028802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.028802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.028802 (E_RNA) where: Base-Base interactions energy: -36.771 where: short stacking energy: -18.962 Base-Backbone interact. energy: -0.507 local terms energy: -23.750339 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -7.086 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -2.154 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: 6 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -50.624706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.624706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.624706 (E_RNA) where: Base-Base interactions energy: -20.953 where: short stacking energy: -20.953 Base-Backbone interact. energy: -0.018 local terms energy: -29.654226 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -5.577 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -48.161845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.161845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.161845 (E_RNA) where: Base-Base interactions energy: -23.519 where: short stacking energy: -13.457 Base-Backbone interact. energy: -0.004 local terms energy: -24.638630 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -6.094 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: 10, replica: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -68.228236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.228236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.228236 (E_RNA) where: Base-Base interactions energy: -47.167 where: short stacking energy: -15.419 Base-Backbone interact. energy: -0.852 local terms energy: -20.209599 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -5.877 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -0.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -100.084053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.084053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.084053 (E_RNA) where: Base-Base interactions energy: -67.564 where: short stacking energy: -25.518 Base-Backbone interact. energy: -0.628 local terms energy: -31.891774 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -1.688 tors. eta vs tors. theta energy: -4.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -109.064310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.064310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.064310 (E_RNA) where: Base-Base interactions energy: -70.971 where: short stacking energy: -35.662 Base-Backbone interact. energy: -0.673 local terms energy: -37.420108 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -7.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -106.579198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.579198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.579198 (E_RNA) where: Base-Base interactions energy: -69.000 where: short stacking energy: -34.932 Base-Backbone interact. energy: -1.142 local terms energy: -36.437669 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -6.686 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: 4, replica: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -106.126627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.126627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.126627 (E_RNA) where: Base-Base interactions energy: -72.530 where: short stacking energy: -35.912 Base-Backbone interact. energy: -0.003 local terms energy: -33.594152 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -7.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -99.781887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.781887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.781887 (E_RNA) where: Base-Base interactions energy: -62.195 where: short stacking energy: -29.398 Base-Backbone interact. energy: -1.817 local terms energy: -35.769907 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -6.089 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: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -97.107501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.107501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.107501 (E_RNA) where: Base-Base interactions energy: -64.162 where: short stacking energy: -29.948 Base-Backbone interact. energy: -0.789 local terms energy: -32.157066 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -4.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -57.971599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.971599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.971599 (E_RNA) where: Base-Base interactions energy: -27.344 where: short stacking energy: -27.344 Base-Backbone interact. energy: -0.000 local terms energy: -30.627445 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -7.043 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: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -55.563054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.563054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.563054 (E_RNA) where: Base-Base interactions energy: -33.582 where: short stacking energy: -18.835 Base-Backbone interact. energy: -0.099 local terms energy: -21.882673 where: bonds (distance) C4'-P energy: -4.623 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -2.968 tors. eta vs tors. theta energy: -1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -76.231101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.231101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.231101 (E_RNA) where: Base-Base interactions energy: -51.172 where: short stacking energy: -23.557 Base-Backbone interact. energy: -0.345 local terms energy: -24.713683 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -2.895 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: 10, replica: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -50.471951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.471951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.471951 (E_RNA) where: Base-Base interactions energy: -21.423 where: short stacking energy: -21.423 Base-Backbone interact. energy: -0.078 local terms energy: -28.971216 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -2.503 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: 7 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -108.793528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.793528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.793528 (E_RNA) where: Base-Base interactions energy: -74.215 where: short stacking energy: -33.605 Base-Backbone interact. energy: -0.129 local terms energy: -34.449873 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.857 flat angles C4'-P-C4' energy: -8.885 flat angles P-C4'-P energy: -2.113 tors. eta vs tors. theta energy: -7.929 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: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -107.183146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.183146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.183146 (E_RNA) where: Base-Base interactions energy: -75.418 where: short stacking energy: -29.221 Base-Backbone interact. energy: -0.186 local terms energy: -31.579344 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.434 flat angles P-C4'-P energy: -1.721 tors. eta vs tors. theta energy: -8.961 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: 3, replica: 2 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -105.144942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.144942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.144942 (E_RNA) where: Base-Base interactions energy: -68.808 where: short stacking energy: -33.170 Base-Backbone interact. energy: 0.497 local terms energy: -36.833335 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -7.818 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -6.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -109.442365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.442365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.442365 (E_RNA) where: Base-Base interactions energy: -71.552 where: short stacking energy: -34.317 Base-Backbone interact. energy: 0.390 local terms energy: -38.280808 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.494 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -100.967569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.967569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.967569 (E_RNA) where: Base-Base interactions energy: -72.381 where: short stacking energy: -28.893 Base-Backbone interact. energy: -0.002 local terms energy: -28.584601 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -2.726 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: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -96.913331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.913331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.913331 (E_RNA) where: Base-Base interactions energy: -67.613 where: short stacking energy: -31.937 Base-Backbone interact. energy: -0.016 local terms energy: -29.284714 where: bonds (distance) C4'-P energy: -4.504 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -0.819 tors. eta vs tors. theta energy: -8.076 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: 319 Temperature: 1.200000 Total energy: -75.410601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.410601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.410601 (E_RNA) where: Base-Base interactions energy: -47.294 where: short stacking energy: -21.014 Base-Backbone interact. energy: -0.009 local terms energy: -28.107322 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -0.979 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: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -63.518177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.518177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.518177 (E_RNA) where: Base-Base interactions energy: -34.954 where: short stacking energy: -30.836 Base-Backbone interact. energy: -0.002 local terms energy: -28.562343 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -5.061 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -50.753102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.753102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.753102 (E_RNA) where: Base-Base interactions energy: -23.731 where: short stacking energy: -23.731 Base-Backbone interact. energy: -0.004 local terms energy: -27.017709 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -55.314873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.314873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.314873 (E_RNA) where: Base-Base interactions energy: -34.654 where: short stacking energy: -24.471 Base-Backbone interact. energy: -0.011 local terms energy: -20.649965 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -0.102 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: 7 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -110.626010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.626010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.626010 (E_RNA) where: Base-Base interactions energy: -74.651 where: short stacking energy: -38.046 Base-Backbone interact. energy: -1.353 local terms energy: -34.622040 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -7.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -104.405204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.405204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.405204 (E_RNA) where: Base-Base interactions energy: -77.574 where: short stacking energy: -33.191 Base-Backbone interact. energy: -0.164 local terms energy: -26.667919 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -6.525 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -0.124 tors. eta vs tors. theta energy: -6.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -110.027048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.027048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.027048 (E_RNA) where: Base-Base interactions energy: -70.462 where: short stacking energy: -36.697 Base-Backbone interact. energy: -1.898 local terms energy: -37.667238 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -7.157 tors. eta vs tors. theta energy: -9.009 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: 4, replica: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -100.626083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.626083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.626083 (E_RNA) where: Base-Base interactions energy: -65.173 where: short stacking energy: -35.188 Base-Backbone interact. energy: -0.065 local terms energy: -35.387525 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -7.011 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: 5 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -104.161381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.161381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.161381 (E_RNA) where: Base-Base interactions energy: -65.526 where: short stacking energy: -32.783 Base-Backbone interact. energy: -0.017 local terms energy: -38.617652 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -5.776 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: 6, replica: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -103.734931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.734931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.734931 (E_RNA) where: Base-Base interactions energy: -68.483 where: short stacking energy: -32.518 Base-Backbone interact. energy: -2.204 local terms energy: -33.047626 where: bonds (distance) C4'-P energy: -5.660 bonds (distance) P-C4' energy: -5.665 flat angles C4'-P-C4' energy: -9.074 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -7.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -94.083936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.083936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.083936 (E_RNA) where: Base-Base interactions energy: -66.502 where: short stacking energy: -29.992 Base-Backbone interact. energy: -0.310 local terms energy: -27.272523 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -1.495 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: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -105.178590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.178590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.178590 (E_RNA) where: Base-Base interactions energy: -74.881 where: short stacking energy: -29.719 Base-Backbone interact. energy: -0.266 local terms energy: -30.031306 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -7.579 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -2.143 tors. eta vs tors. theta energy: -7.553 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: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -51.062461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.062461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.062461 (E_RNA) where: Base-Base interactions energy: -19.118 where: short stacking energy: -19.118 Base-Backbone interact. energy: -0.026 local terms energy: -31.918104 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -3.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -52.895035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.895035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.895035 (E_RNA) where: Base-Base interactions energy: -23.130 where: short stacking energy: -23.130 Base-Backbone interact. energy: -0.043 local terms energy: -29.722104 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -4.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -112.170930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.170930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.170930 (E_RNA) where: Base-Base interactions energy: -72.750 where: short stacking energy: -36.008 Base-Backbone interact. energy: -1.254 local terms energy: -38.167414 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -5.144 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: 2, replica: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -112.091175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.091175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.091175 (E_RNA) where: Base-Base interactions energy: -72.356 where: short stacking energy: -34.936 Base-Backbone interact. energy: -1.279 local terms energy: -38.456432 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -8.735 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: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -104.274234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.274234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.274234 (E_RNA) where: Base-Base interactions energy: -70.663 where: short stacking energy: -34.934 Base-Backbone interact. energy: -0.990 local terms energy: -32.621908 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -5.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -107.105392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.105392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.105392 (E_RNA) where: Base-Base interactions energy: -68.265 where: short stacking energy: -34.444 Base-Backbone interact. energy: -1.111 local terms energy: -37.729251 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -8.378 flat angles P-C4'-P energy: -5.349 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: 5, replica: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -105.561352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.561352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.561352 (E_RNA) where: Base-Base interactions energy: -67.537 where: short stacking energy: -33.393 Base-Backbone interact. energy: -0.016 local terms energy: -38.008997 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -7.012 tors. eta vs tors. theta energy: -6.791 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: 6, replica: 4 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -100.205768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.205768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.205768 (E_RNA) where: Base-Base interactions energy: -67.312 where: short stacking energy: -31.818 Base-Backbone interact. energy: -0.009 local terms energy: -32.884771 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.255 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -2.332 tors. eta vs tors. theta energy: -6.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -104.033267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.033267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.033267 (E_RNA) where: Base-Base interactions energy: -66.403 where: short stacking energy: -33.052 Base-Backbone interact. energy: -0.036 local terms energy: -37.594441 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -8.887 flat angles P-C4'-P energy: -5.080 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: 3 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -62.474944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.474944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.474944 (E_RNA) where: Base-Base interactions energy: -34.509 where: short stacking energy: -17.372 Base-Backbone interact. energy: -0.000 local terms energy: -27.965972 where: bonds (distance) C4'-P energy: -6.054 bonds (distance) P-C4' energy: -6.013 flat angles C4'-P-C4' energy: -8.914 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -80.833641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.833641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.833641 (E_RNA) where: Base-Base interactions energy: -58.611 where: short stacking energy: -24.059 Base-Backbone interact. energy: -0.576 local terms energy: -21.646628 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -3.733 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -6.753 tors. eta vs tors. theta energy: -0.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -51.175505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.175505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.175505 (E_RNA) where: Base-Base interactions energy: -25.026 where: short stacking energy: -25.026 Base-Backbone interact. energy: -0.134 local terms energy: -26.014956 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -4.593 flat angles C4'-P-C4' energy: -8.449 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -110.486249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.486249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.486249 (E_RNA) where: Base-Base interactions energy: -70.773 where: short stacking energy: -35.295 Base-Backbone interact. energy: -0.003 local terms energy: -39.709881 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: -8.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -108.613909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.613909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.613909 (E_RNA) where: Base-Base interactions energy: -70.216 where: short stacking energy: -35.253 Base-Backbone interact. energy: -0.609 local terms energy: -37.789165 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -6.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -103.671705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.671705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.671705 (E_RNA) where: Base-Base interactions energy: -66.614 where: short stacking energy: -31.314 Base-Backbone interact. energy: -1.027 local terms energy: -36.031404 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -5.323 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: 8 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -115.280795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.280795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.280795 (E_RNA) where: Base-Base interactions energy: -84.686 where: short stacking energy: -37.307 Base-Backbone interact. energy: -0.142 local terms energy: -30.453182 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -1.110 tors. eta vs tors. theta energy: -5.070 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: 5, replica: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -107.948092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.948092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.948092 (E_RNA) where: Base-Base interactions energy: -71.339 where: short stacking energy: -35.927 Base-Backbone interact. energy: -1.182 local terms energy: -35.427710 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -6.408 tors. eta vs tors. theta energy: -7.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -102.752881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.752881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.752881 (E_RNA) where: Base-Base interactions energy: -70.061 where: short stacking energy: -35.876 Base-Backbone interact. energy: -0.022 local terms energy: -32.669887 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -7.698 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: 9 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -92.955297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.955297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.955297 (E_RNA) where: Base-Base interactions energy: -57.777 where: short stacking energy: -25.079 Base-Backbone interact. energy: -0.317 local terms energy: -34.860958 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -8.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -50.728646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.728646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.728646 (E_RNA) where: Base-Base interactions energy: -21.749 where: short stacking energy: -21.749 Base-Backbone interact. energy: -0.000 local terms energy: -28.978836 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -7.692 tors. eta vs tors. theta energy: -1.175 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: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -54.125527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.125527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.125527 (E_RNA) where: Base-Base interactions energy: -28.666 where: short stacking energy: -22.803 Base-Backbone interact. energy: -0.086 local terms energy: -25.373463 where: bonds (distance) C4'-P energy: -3.742 bonds (distance) P-C4' energy: -7.331 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -5.431 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: 10, replica: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -80.648150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.648150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.648150 (E_RNA) where: Base-Base interactions energy: -54.323 where: short stacking energy: -25.773 Base-Backbone interact. energy: -0.074 local terms energy: -26.251076 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.499 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.004 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -108.109047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.109047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.109047 (E_RNA) where: Base-Base interactions energy: -76.487 where: short stacking energy: -33.067 Base-Backbone interact. energy: -0.003 local terms energy: -31.619508 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -1.454 tors. eta vs tors. theta energy: -6.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -108.149368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.149368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.149368 (E_RNA) where: Base-Base interactions energy: -70.779 where: short stacking energy: -34.898 Base-Backbone interact. energy: -1.909 local terms energy: -35.461486 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -5.410 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: 3, replica: 7 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -105.511890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.511890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.511890 (E_RNA) where: Base-Base interactions energy: -70.167 where: short stacking energy: -37.205 Base-Backbone interact. energy: -0.027 local terms energy: -35.317249 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.552 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -6.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -115.153970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.153970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.153970 (E_RNA) where: Base-Base interactions energy: -87.364 where: short stacking energy: -35.691 Base-Backbone interact. energy: -0.005 local terms energy: -27.785014 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -5.939 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -0.171 tors. eta vs tors. theta energy: -6.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -109.189512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.189512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.189512 (E_RNA) where: Base-Base interactions energy: -75.610 where: short stacking energy: -37.257 Base-Backbone interact. energy: 1.673 local terms energy: -35.251662 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -8.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -83.935965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.935965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.935965 (E_RNA) where: Base-Base interactions energy: -52.170 where: short stacking energy: -24.555 Base-Backbone interact. energy: -0.689 local terms energy: -31.076773 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -4.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -97.100817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.100817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.100817 (E_RNA) where: Base-Base interactions energy: -63.003 where: short stacking energy: -30.459 Base-Backbone interact. energy: -0.040 local terms energy: -34.057842 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -4.681 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: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -63.245216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.245216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.245216 (E_RNA) where: Base-Base interactions energy: -31.851 where: short stacking energy: -23.519 Base-Backbone interact. energy: -0.245 local terms energy: -31.149429 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -5.391 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: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -57.607806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.607806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.607806 (E_RNA) where: Base-Base interactions energy: -27.328 where: short stacking energy: -27.328 Base-Backbone interact. energy: -0.211 local terms energy: -30.069637 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -7.165 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -6.436 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -69.000346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.000346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.000346 (E_RNA) where: Base-Base interactions energy: -38.615 where: short stacking energy: -26.733 Base-Backbone interact. energy: -0.070 local terms energy: -30.316049 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -2.884 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -5.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -111.200607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.200607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.200607 (E_RNA) where: Base-Base interactions energy: -72.783 where: short stacking energy: -36.828 Base-Backbone interact. energy: -1.168 local terms energy: -37.249965 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -5.750 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -7.366 tors. eta vs tors. theta energy: -8.540 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: 10 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -105.517417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.517417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.517417 (E_RNA) where: Base-Base interactions energy: -72.236 where: short stacking energy: -30.917 Base-Backbone interact. energy: -0.254 local terms energy: -33.028237 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.669 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -6.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -104.596951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.596951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.596951 (E_RNA) where: Base-Base interactions energy: -71.303 where: short stacking energy: -35.611 Base-Backbone interact. energy: -0.008 local terms energy: -33.285351 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -5.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -105.516823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.516823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.516823 (E_RNA) where: Base-Base interactions energy: -69.953 where: short stacking energy: -30.978 Base-Backbone interact. energy: -0.001 local terms energy: -35.562560 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -4.228 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: 5, replica: 9 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -102.019962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.019962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.019962 (E_RNA) where: Base-Base interactions energy: -66.133 where: short stacking energy: -32.400 Base-Backbone interact. energy: -0.106 local terms energy: -35.780031 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -3.962 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: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -103.298406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.298406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.298406 (E_RNA) where: Base-Base interactions energy: -67.564 where: short stacking energy: -32.384 Base-Backbone interact. energy: -0.145 local terms energy: -35.588606 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -5.430 tors. eta vs tors. theta energy: -6.706 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: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -71.084931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.084931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.084931 (E_RNA) where: Base-Base interactions energy: -37.447 where: short stacking energy: -28.758 Base-Backbone interact. energy: -0.108 local terms energy: -33.530109 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -7.508 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: 324 Temperature: 1.250000 Total energy: -93.704951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.704951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.704951 (E_RNA) where: Base-Base interactions energy: -62.323 where: short stacking energy: -28.773 Base-Backbone interact. energy: -1.299 local terms energy: -30.083232 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -4.987 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: 324 Temperature: 1.300000 Total energy: -59.212368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.212368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.212368 (E_RNA) where: Base-Base interactions energy: -27.379 where: short stacking energy: -25.500 Base-Backbone interact. energy: -0.011 local terms energy: -31.822140 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -5.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -53.185112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.185112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.185112 (E_RNA) where: Base-Base interactions energy: -27.416 where: short stacking energy: -27.416 Base-Backbone interact. energy: -0.104 local terms energy: -25.664703 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -3.853 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: 1, replica: 5 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -109.012023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.012023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.012023 (E_RNA) where: Base-Base interactions energy: -74.831 where: short stacking energy: -33.188 Base-Backbone interact. energy: -0.006 local terms energy: -34.175936 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.661 flat angles P-C4'-P energy: -6.351 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: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -108.309841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.309841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.309841 (E_RNA) where: Base-Base interactions energy: -72.747 where: short stacking energy: -36.194 Base-Backbone interact. energy: -0.159 local terms energy: -35.403993 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -6.684 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: 3, replica: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -106.193800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.193800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.193800 (E_RNA) where: Base-Base interactions energy: -68.430 where: short stacking energy: -33.540 Base-Backbone interact. energy: -2.465 local terms energy: -35.298656 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -5.327 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: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -106.187420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.187420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.187420 (E_RNA) where: Base-Base interactions energy: -72.510 where: short stacking energy: -36.811 Base-Backbone interact. energy: -0.297 local terms energy: -33.380172 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -6.411 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -6.806 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: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -101.530836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.530836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.530836 (E_RNA) where: Base-Base interactions energy: -74.432 where: short stacking energy: -32.380 Base-Backbone interact. energy: -0.043 local terms energy: -27.055533 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -0.296 tors. eta vs tors. theta energy: -6.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -103.672905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.672905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.672905 (E_RNA) where: Base-Base interactions energy: -72.468 where: short stacking energy: -29.707 Base-Backbone interact. energy: -0.069 local terms energy: -31.134980 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -2.588 tors. eta vs tors. theta energy: -5.215 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: 7, replica: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -71.765227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.765227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.765227 (E_RNA) where: Base-Base interactions energy: -33.047 where: short stacking energy: -33.047 Base-Backbone interact. energy: -0.000 local terms energy: -38.717848 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -6.730 tors. eta vs tors. theta energy: -9.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -60.501229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.501229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.501229 (E_RNA) where: Base-Base interactions energy: -26.703 where: short stacking energy: -26.703 Base-Backbone interact. energy: -0.000 local terms energy: -33.797787 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -3.852 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -8.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -56.649698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.649698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.649698 (E_RNA) where: Base-Base interactions energy: -33.082 where: short stacking energy: -30.238 Base-Backbone interact. energy: -0.003 local terms energy: -23.563997 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -1.765 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -4.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -48.041548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.041548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.041548 (E_RNA) where: Base-Base interactions energy: -22.141 where: short stacking energy: -22.141 Base-Backbone interact. energy: -0.006 local terms energy: -25.894753 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: 0.074 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: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -106.234125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.234125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.234125 (E_RNA) where: Base-Base interactions energy: -70.800 where: short stacking energy: -33.245 Base-Backbone interact. energy: -0.076 local terms energy: -35.358067 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -6.752 tors. eta vs tors. theta energy: -5.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -109.387969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.387969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.387969 (E_RNA) where: Base-Base interactions energy: -72.208 where: short stacking energy: -36.894 Base-Backbone interact. energy: -0.024 local terms energy: -37.156277 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -5.898 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: 3, replica: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -107.636027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.636027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.636027 (E_RNA) where: Base-Base interactions energy: -71.048 where: short stacking energy: -36.950 Base-Backbone interact. energy: -0.005 local terms energy: -36.582956 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -7.026 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: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -105.029581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.029581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.029581 (E_RNA) where: Base-Base interactions energy: -71.910 where: short stacking energy: -38.495 Base-Backbone interact. energy: -1.522 local terms energy: -31.597703 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -6.886 tors. eta vs tors. theta energy: -7.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -101.081501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.081501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.081501 (E_RNA) where: Base-Base interactions energy: -69.038 where: short stacking energy: -33.568 Base-Backbone interact. energy: -1.833 local terms energy: -30.210171 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -5.381 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -6.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -107.199619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.199619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.199619 (E_RNA) where: Base-Base interactions energy: -72.316 where: short stacking energy: -36.003 Base-Backbone interact. energy: -1.083 local terms energy: -33.800592 where: bonds (distance) C4'-P energy: -4.172 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: -5.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -64.889843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.889843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.889843 (E_RNA) where: Base-Base interactions energy: -44.077 where: short stacking energy: -20.765 Base-Backbone interact. energy: 4.817 local terms energy: -25.630259 where: bonds (distance) C4'-P energy: -5.414 bonds (distance) P-C4' energy: -6.345 flat angles C4'-P-C4' energy: -3.520 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -4.661 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: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -55.196831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.196831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.196831 (E_RNA) where: Base-Base interactions energy: -24.387 where: short stacking energy: -24.387 Base-Backbone interact. energy: -0.006 local terms energy: -30.803985 where: bonds (distance) C4'-P energy: -5.932 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -4.489 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: 9, replica: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -59.305683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.305683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.305683 (E_RNA) where: Base-Base interactions energy: -30.470 where: short stacking energy: -28.112 Base-Backbone interact. energy: -0.021 local terms energy: -28.815290 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -48.778434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.778434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.778434 (E_RNA) where: Base-Base interactions energy: -17.367 where: short stacking energy: -17.367 Base-Backbone interact. energy: -1.336 local terms energy: -30.075497 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -106.075771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.075771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.075771 (E_RNA) where: Base-Base interactions energy: -70.204 where: short stacking energy: -34.001 Base-Backbone interact. energy: -0.008 local terms energy: -35.863793 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.631 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -5.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -114.149415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.149415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.149415 (E_RNA) where: Base-Base interactions energy: -83.869 where: short stacking energy: -36.041 Base-Backbone interact. energy: -0.108 local terms energy: -30.171701 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -2.102 tors. eta vs tors. theta energy: -7.852 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: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -110.862938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.862938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.862938 (E_RNA) where: Base-Base interactions energy: -78.942 where: short stacking energy: -31.990 Base-Backbone interact. energy: 0.069 local terms energy: -31.989963 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -6.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -107.034147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.034147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.034147 (E_RNA) where: Base-Base interactions energy: -70.503 where: short stacking energy: -34.549 Base-Backbone interact. energy: -1.543 local terms energy: -34.988129 where: bonds (distance) C4'-P energy: -4.322 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -7.595 tors. eta vs tors. theta energy: -8.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -106.077763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.077763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.077763 (E_RNA) where: Base-Base interactions energy: -72.736 where: short stacking energy: -36.780 Base-Backbone interact. energy: -0.276 local terms energy: -33.066055 where: bonds (distance) C4'-P energy: -3.457 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -95.612425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.612425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.612425 (E_RNA) where: Base-Base interactions energy: -67.509 where: short stacking energy: -31.310 Base-Backbone interact. energy: -0.650 local terms energy: -27.453295 where: bonds (distance) C4'-P energy: -5.567 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -1.844 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -7.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -62.375202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.375202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.375202 (E_RNA) where: Base-Base interactions energy: -31.628 where: short stacking energy: -31.628 Base-Backbone interact. energy: -0.000 local terms energy: -30.746672 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -7.753 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -6.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -50.556116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.556116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.556116 (E_RNA) where: Base-Base interactions energy: -28.623 where: short stacking energy: -28.623 Base-Backbone interact. energy: -0.000 local terms energy: -21.933158 where: bonds (distance) C4'-P energy: -2.484 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -1.242 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: 9, replica: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -50.645576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.645576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.645576 (E_RNA) where: Base-Base interactions energy: -25.883 where: short stacking energy: -20.700 Base-Backbone interact. energy: -0.006 local terms energy: -24.756154 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: 0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -45.912826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.912826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.912826 (E_RNA) where: Base-Base interactions energy: -26.537 where: short stacking energy: -16.209 Base-Backbone interact. energy: -0.295 local terms energy: -19.080267 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -2.382 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: 1.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -107.721606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.721606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.721606 (E_RNA) where: Base-Base interactions energy: -73.368 where: short stacking energy: -36.577 Base-Backbone interact. energy: -0.010 local terms energy: -34.342931 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -6.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -96.950522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.950522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.950522 (E_RNA) where: Base-Base interactions energy: -72.470 where: short stacking energy: -30.556 Base-Backbone interact. energy: -0.900 local terms energy: -23.580719 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: 0.307 tors. eta vs tors. theta energy: -4.585 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: 4 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -106.926790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.926790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.926790 (E_RNA) where: Base-Base interactions energy: -69.869 where: short stacking energy: -34.270 Base-Backbone interact. energy: -0.156 local terms energy: -36.901205 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -6.320 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: 4, replica: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -106.332139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.332139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.332139 (E_RNA) where: Base-Base interactions energy: -69.096 where: short stacking energy: -34.202 Base-Backbone interact. energy: -1.449 local terms energy: -35.787116 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -8.314 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: 10 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -103.106638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.106638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.106638 (E_RNA) where: Base-Base interactions energy: -70.812 where: short stacking energy: -28.647 Base-Backbone interact. energy: -0.006 local terms energy: -32.288383 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -2.294 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: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -101.615582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.615582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.615582 (E_RNA) where: Base-Base interactions energy: -66.169 where: short stacking energy: -30.218 Base-Backbone interact. energy: -1.150 local terms energy: -34.296776 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -6.113 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: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -61.116382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.116382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.116382 (E_RNA) where: Base-Base interactions energy: -28.358 where: short stacking energy: -28.358 Base-Backbone interact. energy: -0.012 local terms energy: -32.745954 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -7.442 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -7.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -53.452772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.452772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.452772 (E_RNA) where: Base-Base interactions energy: -25.036 where: short stacking energy: -25.036 Base-Backbone interact. energy: -0.005 local terms energy: -28.412588 where: bonds (distance) C4'-P energy: -4.554 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -5.923 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: 328 Temperature: 1.300000 Total energy: -53.069372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.069372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.069372 (E_RNA) where: Base-Base interactions energy: -19.204 where: short stacking energy: -19.204 Base-Backbone interact. energy: -0.021 local terms energy: -33.843989 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -3.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -52.856382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.856382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.856382 (E_RNA) where: Base-Base interactions energy: -24.974 where: short stacking energy: -24.974 Base-Backbone interact. energy: -0.001 local terms energy: -27.881626 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -6.368 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -115.764856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.764856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.764856 (E_RNA) where: Base-Base interactions energy: -87.090 where: short stacking energy: -33.336 Base-Backbone interact. energy: -0.023 local terms energy: -28.651760 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -2.869 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -5.833 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: 4 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -109.750345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.750345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.750345 (E_RNA) where: Base-Base interactions energy: -71.267 where: short stacking energy: -36.456 Base-Backbone interact. energy: -1.282 local terms energy: -37.201406 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -5.789 tors. eta vs tors. theta energy: -7.377 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: 9 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -99.636073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.636073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.636073 (E_RNA) where: Base-Base interactions energy: -70.997 where: short stacking energy: -26.731 Base-Backbone interact. energy: -0.577 local terms energy: -28.062181 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -1.317 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -102.780046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.780046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.780046 (E_RNA) where: Base-Base interactions energy: -67.946 where: short stacking energy: -34.762 Base-Backbone interact. energy: -0.061 local terms energy: -34.773076 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.670 flat angles P-C4'-P energy: -5.915 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: 5, replica: 5 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -103.953418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.953418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.953418 (E_RNA) where: Base-Base interactions energy: -69.772 where: short stacking energy: -33.855 Base-Backbone interact. energy: -0.279 local terms energy: -33.902133 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -7.854 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -6.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -94.071632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.071632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.071632 (E_RNA) where: Base-Base interactions energy: -70.577 where: short stacking energy: -23.989 Base-Backbone interact. energy: -0.026 local terms energy: -23.468300 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -0.904 tors. eta vs tors. theta energy: -4.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -70.321828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.321828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.321828 (E_RNA) where: Base-Base interactions energy: -36.558 where: short stacking energy: -36.558 Base-Backbone interact. energy: -0.000 local terms energy: -33.763702 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -9.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -78.791949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.791949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.791949 (E_RNA) where: Base-Base interactions energy: -53.121 where: short stacking energy: -18.889 Base-Backbone interact. energy: -0.046 local terms energy: -25.624591 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -2.563 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: 6 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -63.621147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.621147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.621147 (E_RNA) where: Base-Base interactions energy: -30.214 where: short stacking energy: -30.214 Base-Backbone interact. energy: -0.001 local terms energy: -33.406417 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -8.206 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -6.677 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: 10, replica: 1 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -44.842945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.842945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.842945 (E_RNA) where: Base-Base interactions energy: -20.947 where: short stacking energy: -20.947 Base-Backbone interact. energy: -0.104 local terms energy: -23.792413 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -121.501919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.501919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.501919 (E_RNA) where: Base-Base interactions energy: -89.229 where: short stacking energy: -40.057 Base-Backbone interact. energy: -0.573 local terms energy: -31.700074 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -2.612 tors. eta vs tors. theta energy: -6.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -107.585166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.585166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.585166 (E_RNA) where: Base-Base interactions energy: -70.077 where: short stacking energy: -35.745 Base-Backbone interact. energy: -0.464 local terms energy: -37.044533 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -7.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -106.507740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.507740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.507740 (E_RNA) where: Base-Base interactions energy: -71.357 where: short stacking energy: -35.892 Base-Backbone interact. energy: -1.401 local terms energy: -33.749403 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.011 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -4.022 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: 4, replica: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -114.420397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.420397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.420397 (E_RNA) where: Base-Base interactions energy: -82.490 where: short stacking energy: -37.887 Base-Backbone interact. energy: -0.283 local terms energy: -31.647817 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -8.314 flat angles P-C4'-P energy: -0.402 tors. eta vs tors. theta energy: -8.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -105.700594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.700594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.700594 (E_RNA) where: Base-Base interactions energy: -70.337 where: short stacking energy: -35.174 Base-Backbone interact. energy: -1.671 local terms energy: -33.692613 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -8.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -86.702916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.702916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.702916 (E_RNA) where: Base-Base interactions energy: -60.401 where: short stacking energy: -24.259 Base-Backbone interact. energy: -0.150 local terms energy: -26.152571 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -2.488 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -91.959393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.959393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.959393 (E_RNA) where: Base-Base interactions energy: -59.657 where: short stacking energy: -30.482 Base-Backbone interact. energy: -0.901 local terms energy: -31.401615 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -55.831661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.831661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.831661 (E_RNA) where: Base-Base interactions energy: -24.471 where: short stacking energy: -24.471 Base-Backbone interact. energy: -0.002 local terms energy: -31.358714 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -9.220 flat angles P-C4'-P energy: -1.663 tors. eta vs tors. theta energy: -4.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -61.650603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.650603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.650603 (E_RNA) where: Base-Base interactions energy: -26.206 where: short stacking energy: -26.206 Base-Backbone interact. energy: -0.006 local terms energy: -35.439139 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.117 flat angles P-C4'-P energy: -7.289 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -55.626388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.626388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.626388 (E_RNA) where: Base-Base interactions energy: -26.819 where: short stacking energy: -26.819 Base-Backbone interact. energy: -0.001 local terms energy: -28.806334 where: bonds (distance) C4'-P energy: -4.728 bonds (distance) P-C4' energy: -6.444 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -4.855 tors. eta vs tors. theta energy: -5.226 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: 8 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -124.797322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.797322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.797322 (E_RNA) where: Base-Base interactions energy: -92.265 where: short stacking energy: -41.070 Base-Backbone interact. energy: -0.175 local terms energy: -32.357230 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -0.937 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: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -108.709831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.709831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.709831 (E_RNA) where: Base-Base interactions energy: -74.064 where: short stacking energy: -35.718 Base-Backbone interact. energy: -0.036 local terms energy: -34.609767 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -8.879 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -7.732 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: 4 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -104.334943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.334943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.334943 (E_RNA) where: Base-Base interactions energy: -68.300 where: short stacking energy: -33.473 Base-Backbone interact. energy: -0.018 local terms energy: -36.016729 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -5.408 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: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -105.313640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.313640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.313640 (E_RNA) where: Base-Base interactions energy: -72.472 where: short stacking energy: -35.623 Base-Backbone interact. energy: -0.386 local terms energy: -32.456089 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -6.910 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -8.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -102.345226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.345226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.345226 (E_RNA) where: Base-Base interactions energy: -68.654 where: short stacking energy: -36.059 Base-Backbone interact. energy: -1.494 local terms energy: -32.197976 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -6.233 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: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -99.838637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.838637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.838637 (E_RNA) where: Base-Base interactions energy: -66.294 where: short stacking energy: -30.432 Base-Backbone interact. energy: -0.479 local terms energy: -33.065471 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -6.487 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -5.812 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: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -69.769863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.769863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.769863 (E_RNA) where: Base-Base interactions energy: -41.478 where: short stacking energy: -29.043 Base-Backbone interact. energy: -0.083 local terms energy: -28.208600 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.276 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -57.786893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.786893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.786893 (E_RNA) where: Base-Base interactions energy: -28.325 where: short stacking energy: -28.325 Base-Backbone interact. energy: -0.001 local terms energy: -29.461064 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -61.131420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.131420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.131420 (E_RNA) where: Base-Base interactions energy: -29.165 where: short stacking energy: -19.285 Base-Backbone interact. energy: -0.233 local terms energy: -31.733225 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -3.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -54.301666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.301666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.301666 (E_RNA) where: Base-Base interactions energy: -27.655 where: short stacking energy: -20.440 Base-Backbone interact. energy: -0.000 local terms energy: -26.646115 where: bonds (distance) C4'-P energy: -4.313 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -3.255 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: 1, replica: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -108.418549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.418549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.418549 (E_RNA) where: Base-Base interactions energy: -75.794 where: short stacking energy: -30.193 Base-Backbone interact. energy: -0.384 local terms energy: -32.240645 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: 0.834 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: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -118.674850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.674850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.674850 (E_RNA) where: Base-Base interactions energy: -84.226 where: short stacking energy: -34.493 Base-Backbone interact. energy: -0.294 local terms energy: -34.154800 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -2.471 tors. eta vs tors. theta energy: -6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -104.091367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.091367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.091367 (E_RNA) where: Base-Base interactions energy: -70.926 where: short stacking energy: -33.957 Base-Backbone interact. energy: -0.475 local terms energy: -32.689842 where: bonds (distance) C4'-P energy: -5.428 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -7.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -99.048708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.048708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.048708 (E_RNA) where: Base-Base interactions energy: -66.278 where: short stacking energy: -35.329 Base-Backbone interact. energy: -0.002 local terms energy: -32.768793 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -8.569 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -7.957 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: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -99.863960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.863960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.863960 (E_RNA) where: Base-Base interactions energy: -67.926 where: short stacking energy: -32.063 Base-Backbone interact. energy: -1.148 local terms energy: -30.790246 where: bonds (distance) C4'-P energy: -4.714 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -90.714177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.714177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.714177 (E_RNA) where: Base-Base interactions energy: -61.035 where: short stacking energy: -34.099 Base-Backbone interact. energy: -0.002 local terms energy: -29.677086 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -2.906 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: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -54.475574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.475574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.475574 (E_RNA) where: Base-Base interactions energy: -27.877 where: short stacking energy: -15.638 Base-Backbone interact. energy: -0.010 local terms energy: -26.587891 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -4.432 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: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -51.779726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.779726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.779726 (E_RNA) where: Base-Base interactions energy: -23.026 where: short stacking energy: -23.026 Base-Backbone interact. energy: -0.001 local terms energy: -28.753262 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -3.864 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -6.720 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: 9, replica: 3 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -59.136034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.136034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.136034 (E_RNA) where: Base-Base interactions energy: -33.115 where: short stacking energy: -22.970 Base-Backbone interact. energy: -0.021 local terms energy: -26.000222 where: bonds (distance) C4'-P energy: -4.732 bonds (distance) P-C4' energy: -5.638 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -5.268 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: 1 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -60.658568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.658568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.658568 (E_RNA) where: Base-Base interactions energy: -29.100 where: short stacking energy: -23.284 Base-Backbone interact. energy: -0.006 local terms energy: -31.552802 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -2.799 tors. eta vs tors. theta energy: -6.161 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: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -108.311545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.311545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.311545 (E_RNA) where: Base-Base interactions energy: -68.415 where: short stacking energy: -34.646 Base-Backbone interact. energy: -0.009 local terms energy: -39.887739 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: -7.380 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: 2, replica: 4 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -105.304256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.304256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.304256 (E_RNA) where: Base-Base interactions energy: -73.864 where: short stacking energy: -32.219 Base-Backbone interact. energy: -0.042 local terms energy: -31.398606 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -6.300 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: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -114.041872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.041872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.041872 (E_RNA) where: Base-Base interactions energy: -84.982 where: short stacking energy: -36.175 Base-Backbone interact. energy: -0.061 local terms energy: -28.998926 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.797 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: 4, replica: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -93.247581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.247581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.247581 (E_RNA) where: Base-Base interactions energy: -62.208 where: short stacking energy: -27.676 Base-Backbone interact. energy: -0.061 local terms energy: -30.977869 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -8.728 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -5.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -95.850005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.850005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.850005 (E_RNA) where: Base-Base interactions energy: -58.036 where: short stacking energy: -29.504 Base-Backbone interact. energy: -0.803 local terms energy: -37.011090 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -8.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -89.148437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.148437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.148437 (E_RNA) where: Base-Base interactions energy: -57.764 where: short stacking energy: -28.047 Base-Backbone interact. energy: -0.081 local terms energy: -31.302987 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -5.132 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: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -66.391355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.391355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.391355 (E_RNA) where: Base-Base interactions energy: -29.376 where: short stacking energy: -29.376 Base-Backbone interact. energy: -0.026 local terms energy: -36.988601 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.923 flat angles P-C4'-P energy: -4.909 tors. eta vs tors. theta energy: -8.397 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: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -54.562088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.562088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.562088 (E_RNA) where: Base-Base interactions energy: -19.811 where: short stacking energy: -19.811 Base-Backbone interact. energy: -0.079 local terms energy: -34.672083 where: bonds (distance) C4'-P energy: -6.243 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -5.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -54.276194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.276194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.276194 (E_RNA) where: Base-Base interactions energy: -24.120 where: short stacking energy: -17.660 Base-Backbone interact. energy: -0.021 local terms energy: -30.135234 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.567 flat angles P-C4'-P energy: -2.506 tors. eta vs tors. theta energy: -3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -56.266461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.266461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.266461 (E_RNA) where: Base-Base interactions energy: -25.572 where: short stacking energy: -24.754 Base-Backbone interact. energy: -0.103 local terms energy: -30.591440 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -5.226 tors. eta vs tors. theta energy: -4.049 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: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -106.110178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.110178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.110178 (E_RNA) where: Base-Base interactions energy: -70.991 where: short stacking energy: -35.325 Base-Backbone interact. energy: 0.261 local terms energy: -35.379857 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -7.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -100.146416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.146416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.146416 (E_RNA) where: Base-Base interactions energy: -65.765 where: short stacking energy: -29.544 Base-Backbone interact. energy: -1.855 local terms energy: -32.526330 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -6.970 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -107.284087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.284087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.284087 (E_RNA) where: Base-Base interactions energy: -78.408 where: short stacking energy: -28.449 Base-Backbone interact. energy: -0.248 local terms energy: -28.628203 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -3.351 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: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -104.902614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.902614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.902614 (E_RNA) where: Base-Base interactions energy: -75.138 where: short stacking energy: -35.833 Base-Backbone interact. energy: -0.002 local terms energy: -29.763260 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -0.606 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: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -92.154930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.154930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.154930 (E_RNA) where: Base-Base interactions energy: -63.979 where: short stacking energy: -25.788 Base-Backbone interact. energy: -0.007 local terms energy: -28.168823 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -4.115 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -2.061 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: 334 Temperature: 1.150000 Total energy: -104.220853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.220853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.220853 (E_RNA) where: Base-Base interactions energy: -69.056 where: short stacking energy: -34.260 Base-Backbone interact. energy: 0.018 local terms energy: -35.183509 where: bonds (distance) C4'-P energy: -5.170 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -7.203 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: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -58.393268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.393268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.393268 (E_RNA) where: Base-Base interactions energy: -31.927 where: short stacking energy: -23.507 Base-Backbone interact. energy: -0.483 local terms energy: -25.983185 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.359 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -63.350665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.350665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.350665 (E_RNA) where: Base-Base interactions energy: -40.565 where: short stacking energy: -19.113 Base-Backbone interact. energy: -0.008 local terms energy: -22.777236 where: bonds (distance) C4'-P energy: -2.831 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.473 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -3.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -49.679255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.679255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.679255 (E_RNA) where: Base-Base interactions energy: -25.536 where: short stacking energy: -17.242 Base-Backbone interact. energy: -0.508 local terms energy: -23.634758 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -2.371 tors. eta vs tors. theta energy: -0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -54.933107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.933107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.933107 (E_RNA) where: Base-Base interactions energy: -25.688 where: short stacking energy: -25.688 Base-Backbone interact. energy: -0.000 local terms energy: -29.245330 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.178 flat angles C4'-P-C4' energy: -1.988 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -105.119049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.119049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.119049 (E_RNA) where: Base-Base interactions energy: -71.265 where: short stacking energy: -28.182 Base-Backbone interact. energy: -0.153 local terms energy: -33.701204 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -1.598 tors. eta vs tors. theta energy: -9.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -113.154076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.154076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.154076 (E_RNA) where: Base-Base interactions energy: -86.022 where: short stacking energy: -32.135 Base-Backbone interact. energy: -0.606 local terms energy: -26.526648 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -5.115 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: 4 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -107.398386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.398386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.398386 (E_RNA) where: Base-Base interactions energy: -67.920 where: short stacking energy: -33.625 Base-Backbone interact. energy: -0.976 local terms energy: -38.502485 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -7.753 flat angles C4'-P-C4' energy: -8.460 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -8.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -99.665090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.665090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.665090 (E_RNA) where: Base-Base interactions energy: -64.410 where: short stacking energy: -29.888 Base-Backbone interact. energy: -0.024 local terms energy: -35.231828 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.679 flat angles C4'-P-C4' energy: -7.981 flat angles P-C4'-P energy: -3.746 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: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -96.721355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.721355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.721355 (E_RNA) where: Base-Base interactions energy: -67.711 where: short stacking energy: -33.695 Base-Backbone interact. energy: -1.145 local terms energy: -27.865526 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.175 flat angles C4'-P-C4' energy: -8.672 flat angles P-C4'-P energy: -0.957 tors. eta vs tors. theta energy: -6.862 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: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -99.149060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.149060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.149060 (E_RNA) where: Base-Base interactions energy: -61.470 where: short stacking energy: -30.181 Base-Backbone interact. energy: -1.231 local terms energy: -36.448278 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -6.798 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: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -57.902539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.902539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.902539 (E_RNA) where: Base-Base interactions energy: -27.953 where: short stacking energy: -27.953 Base-Backbone interact. energy: -0.000 local terms energy: -29.949172 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.098 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -53.387720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.387720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.387720 (E_RNA) where: Base-Base interactions energy: -25.316 where: short stacking energy: -21.883 Base-Backbone interact. energy: -0.028 local terms energy: -28.043822 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -5.274 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -2.746 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: 6 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -51.469308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.469308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.469308 (E_RNA) where: Base-Base interactions energy: -31.386 where: short stacking energy: -16.578 Base-Backbone interact. energy: -0.133 local terms energy: -19.950024 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: 1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -71.971870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.971870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.971870 (E_RNA) where: Base-Base interactions energy: -44.106 where: short stacking energy: -17.883 Base-Backbone interact. energy: -0.039 local terms energy: -27.826880 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -6.096 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -4.725 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: 1, replica: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -117.309753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.309753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.309753 (E_RNA) where: Base-Base interactions energy: -86.696 where: short stacking energy: -36.556 Base-Backbone interact. energy: -0.010 local terms energy: -30.603409 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -5.034 flat angles P-C4'-P energy: -2.872 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: 2, replica: 10 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -110.637550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.637550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.637550 (E_RNA) where: Base-Base interactions energy: -71.068 where: short stacking energy: -38.368 Base-Backbone interact. energy: -1.559 local terms energy: -38.011299 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -7.117 tors. eta vs tors. theta energy: -9.069 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: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -106.815448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.815448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.815448 (E_RNA) where: Base-Base interactions energy: -74.415 where: short stacking energy: -36.218 Base-Backbone interact. energy: -1.580 local terms energy: -30.820841 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -5.123 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -7.157 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: 4, replica: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -79.906784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.906784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.906784 (E_RNA) where: Base-Base interactions energy: -50.804 where: short stacking energy: -30.816 Base-Backbone interact. energy: -0.059 local terms energy: -29.043658 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -104.316088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.316088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.316088 (E_RNA) where: Base-Base interactions energy: -69.276 where: short stacking energy: -34.193 Base-Backbone interact. energy: 0.776 local terms energy: -35.816144 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -7.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -103.456380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.456380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.456380 (E_RNA) where: Base-Base interactions energy: -69.813 where: short stacking energy: -33.741 Base-Backbone interact. energy: -0.651 local terms energy: -32.992244 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -7.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -56.097173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.097173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.097173 (E_RNA) where: Base-Base interactions energy: -23.171 where: short stacking energy: -23.171 Base-Backbone interact. energy: -0.006 local terms energy: -32.919881 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -6.797 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -61.591924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.591924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.591924 (E_RNA) where: Base-Base interactions energy: -32.708 where: short stacking energy: -28.711 Base-Backbone interact. energy: -0.001 local terms energy: -28.882260 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -5.045 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -1.184 tors. eta vs tors. theta energy: -9.016 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: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -83.956114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.956114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.956114 (E_RNA) where: Base-Base interactions energy: -56.834 where: short stacking energy: -23.876 Base-Backbone interact. energy: -0.003 local terms energy: -27.119333 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -2.245 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -50.250509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.250509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.250509 (E_RNA) where: Base-Base interactions energy: -22.951 where: short stacking energy: -18.404 Base-Backbone interact. energy: -0.160 local terms energy: -27.139357 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -116.938962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.938962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.938962 (E_RNA) where: Base-Base interactions energy: -85.244 where: short stacking energy: -34.174 Base-Backbone interact. energy: -0.038 local terms energy: -31.657532 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -2.786 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: 2, replica: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -111.360304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.360304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.360304 (E_RNA) where: Base-Base interactions energy: -70.785 where: short stacking energy: -36.658 Base-Backbone interact. energy: -1.479 local terms energy: -39.096067 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -8.626 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: -6.581 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: 10 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -107.659230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.659230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.659230 (E_RNA) where: Base-Base interactions energy: -69.205 where: short stacking energy: -36.662 Base-Backbone interact. energy: -0.005 local terms energy: -38.448409 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.309 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -8.625 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: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -101.067493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.067493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.067493 (E_RNA) where: Base-Base interactions energy: -66.460 where: short stacking energy: -30.067 Base-Backbone interact. energy: -1.851 local terms energy: -32.756364 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -5.971 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: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -74.467628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.467628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.467628 (E_RNA) where: Base-Base interactions energy: -36.903 where: short stacking energy: -36.903 Base-Backbone interact. energy: -0.000 local terms energy: -37.564901 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -5.230 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: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -100.351636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.351636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.351636 (E_RNA) where: Base-Base interactions energy: -62.190 where: short stacking energy: -30.601 Base-Backbone interact. energy: -0.854 local terms energy: -37.307942 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -7.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -66.282150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.282150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.282150 (E_RNA) where: Base-Base interactions energy: -33.559 where: short stacking energy: -33.559 Base-Backbone interact. energy: -0.053 local terms energy: -32.670111 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -5.173 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -6.931 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: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -68.493475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.493475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.493475 (E_RNA) where: Base-Base interactions energy: -43.571 where: short stacking energy: -18.184 Base-Backbone interact. energy: -0.142 local terms energy: -24.779659 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.704 flat angles C4'-P-C4' energy: -2.090 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -55.418474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.418474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.418474 (E_RNA) where: Base-Base interactions energy: -22.486 where: short stacking energy: -22.486 Base-Backbone interact. energy: -0.038 local terms energy: -32.894538 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.038 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -7.206 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: 10, replica: 6 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -56.499728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.499728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.499728 (E_RNA) where: Base-Base interactions energy: -28.748 where: short stacking energy: -28.748 Base-Backbone interact. energy: -0.000 local terms energy: -27.751138 where: bonds (distance) C4'-P energy: -3.824 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.916 flat angles P-C4'-P energy: 1.042 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: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -113.033779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.033779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.033779 (E_RNA) where: Base-Base interactions energy: -72.970 where: short stacking energy: -35.828 Base-Backbone interact. energy: -1.323 local terms energy: -38.740370 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -6.822 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: 2, replica: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -114.709648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.709648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.709648 (E_RNA) where: Base-Base interactions energy: -86.352 where: short stacking energy: -35.310 Base-Backbone interact. energy: -0.021 local terms energy: -28.336325 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -103.100354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.100354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.100354 (E_RNA) where: Base-Base interactions energy: -66.619 where: short stacking energy: -31.938 Base-Backbone interact. energy: -0.122 local terms energy: -36.359937 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -103.678929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.678929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.678929 (E_RNA) where: Base-Base interactions energy: -64.659 where: short stacking energy: -34.294 Base-Backbone interact. energy: -0.001 local terms energy: -39.018259 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -8.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -113.888176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.888176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.888176 (E_RNA) where: Base-Base interactions energy: -80.126 where: short stacking energy: -35.365 Base-Backbone interact. energy: -0.244 local terms energy: -33.518287 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.985 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -6.415 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: 338 Temperature: 1.150000 Total energy: -58.506762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.506762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.506762 (E_RNA) where: Base-Base interactions energy: -22.913 where: short stacking energy: -22.913 Base-Backbone interact. energy: -0.023 local terms energy: -35.570211 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -4.729 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: 7, replica: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -67.699056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.699056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.699056 (E_RNA) where: Base-Base interactions energy: -43.936 where: short stacking energy: -32.486 Base-Backbone interact. energy: -0.000 local terms energy: -23.762841 where: bonds (distance) C4'-P energy: -5.274 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -5.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -59.475801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.475801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.475801 (E_RNA) where: Base-Base interactions energy: -27.680 where: short stacking energy: -27.680 Base-Backbone interact. energy: -0.038 local terms energy: -31.757631 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -5.232 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: 338 Temperature: 1.300000 Total energy: -58.506683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.506683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.506683 (E_RNA) where: Base-Base interactions energy: -28.443 where: short stacking energy: -28.443 Base-Backbone interact. energy: -0.007 local terms energy: -30.056838 where: bonds (distance) C4'-P energy: -4.153 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.903 flat angles P-C4'-P energy: -5.899 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: 10, replica: 5 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -50.792500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.792500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.792500 (E_RNA) where: Base-Base interactions energy: -25.129 where: short stacking energy: -25.129 Base-Backbone interact. energy: -0.025 local terms energy: -25.638341 where: bonds (distance) C4'-P energy: -5.730 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -2.648 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: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -108.998648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.998648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.998648 (E_RNA) where: Base-Base interactions energy: -71.321 where: short stacking energy: -35.013 Base-Backbone interact. energy: -1.056 local terms energy: -36.621621 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -6.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -118.878060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.878060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.878060 (E_RNA) where: Base-Base interactions energy: -86.828 where: short stacking energy: -35.902 Base-Backbone interact. energy: -0.153 local terms energy: -31.897186 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -108.908864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.908864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.908864 (E_RNA) where: Base-Base interactions energy: -70.760 where: short stacking energy: -33.878 Base-Backbone interact. energy: -1.978 local terms energy: -36.171148 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -7.049 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: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -103.719772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.719772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.719772 (E_RNA) where: Base-Base interactions energy: -67.413 where: short stacking energy: -31.909 Base-Backbone interact. energy: -0.615 local terms energy: -35.691493 where: bonds (distance) C4'-P energy: -5.726 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -8.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -104.180649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.180649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.180649 (E_RNA) where: Base-Base interactions energy: -70.831 where: short stacking energy: -31.643 Base-Backbone interact. energy: -0.061 local terms energy: -33.288771 where: bonds (distance) C4'-P energy: -7.273 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -7.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -70.670906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.670906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.670906 (E_RNA) where: Base-Base interactions energy: -37.727 where: short stacking energy: -28.875 Base-Backbone interact. energy: -0.309 local terms energy: -32.634944 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -5.249 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: 7, replica: 7 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -56.923464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.923464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.923464 (E_RNA) where: Base-Base interactions energy: -24.214 where: short stacking energy: -24.214 Base-Backbone interact. energy: -0.000 local terms energy: -32.709628 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -5.088 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -6.115 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: 8, replica: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -54.623109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.623109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.623109 (E_RNA) where: Base-Base interactions energy: -23.304 where: short stacking energy: -23.304 Base-Backbone interact. energy: -0.107 local terms energy: -31.211674 where: bonds (distance) C4'-P energy: -4.898 bonds (distance) P-C4' energy: -9.101 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -6.181 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: 3 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -62.998930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.998930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.998930 (E_RNA) where: Base-Base interactions energy: -44.935 where: short stacking energy: -15.593 Base-Backbone interact. energy: 0.030 local terms energy: -18.093284 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -3.627 flat angles P-C4'-P energy: 0.170 tors. eta vs tors. theta energy: 0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -58.944219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.944219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.944219 (E_RNA) where: Base-Base interactions energy: -23.381 where: short stacking energy: -23.381 Base-Backbone interact. energy: -0.000 local terms energy: -35.563271 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -6.437 tors. eta vs tors. theta energy: -7.136 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: 8 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -118.548019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.548019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.548019 (E_RNA) where: Base-Base interactions energy: -84.249 where: short stacking energy: -34.263 Base-Backbone interact. energy: -0.034 local terms energy: -34.264804 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -6.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -108.203637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.203637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.203637 (E_RNA) where: Base-Base interactions energy: -70.129 where: short stacking energy: -33.147 Base-Backbone interact. energy: -1.211 local terms energy: -36.863398 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -8.823 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -8.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -104.196811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.196811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.196811 (E_RNA) where: Base-Base interactions energy: -75.561 where: short stacking energy: -30.851 Base-Backbone interact. energy: -0.321 local terms energy: -28.315318 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -2.056 tors. eta vs tors. theta energy: -6.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -105.093765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.093765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.093765 (E_RNA) where: Base-Base interactions energy: -66.167 where: short stacking energy: -32.514 Base-Backbone interact. energy: -1.060 local terms energy: -37.866488 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -6.593 tors. eta vs tors. theta energy: -7.462 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: 1 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -75.743513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.743513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.743513 (E_RNA) where: Base-Base interactions energy: -40.724 where: short stacking energy: -25.375 Base-Backbone interact. energy: -0.550 local terms energy: -34.469480 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -2.933 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -92.954617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.954617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.954617 (E_RNA) where: Base-Base interactions energy: -60.602 where: short stacking energy: -26.082 Base-Backbone interact. energy: -0.458 local terms energy: -31.894894 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -3.250 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -53.482835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.482835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.482835 (E_RNA) where: Base-Base interactions energy: -23.135 where: short stacking energy: -20.316 Base-Backbone interact. energy: -0.327 local terms energy: -30.020337 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -6.805 flat angles C4'-P-C4' energy: -8.108 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -2.521 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: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -60.964072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.964072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.964072 (E_RNA) where: Base-Base interactions energy: -33.715 where: short stacking energy: -33.715 Base-Backbone interact. energy: -0.033 local terms energy: -27.216125 where: bonds (distance) C4'-P energy: -1.808 bonds (distance) P-C4' energy: -6.030 flat angles C4'-P-C4' energy: -7.321 flat angles P-C4'-P energy: -5.888 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: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -54.938086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.938086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.938086 (E_RNA) where: Base-Base interactions energy: -25.626 where: short stacking energy: -19.770 Base-Backbone interact. energy: 0.039 local terms energy: -29.350312 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -5.821 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -1.322 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: 3 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -49.640139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.640139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.640139 (E_RNA) where: Base-Base interactions energy: -23.819 where: short stacking energy: -23.819 Base-Backbone interact. energy: 0.119 local terms energy: -25.940520 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -4.069 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -4.912 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: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -122.512172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.512172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.512172 (E_RNA) where: Base-Base interactions energy: -92.759 where: short stacking energy: -34.772 Base-Backbone interact. energy: -0.069 local terms energy: -29.684581 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -4.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -100.082572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.082572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.082572 (E_RNA) where: Base-Base interactions energy: -64.951 where: short stacking energy: -34.059 Base-Backbone interact. energy: -0.001 local terms energy: -35.130488 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -3.419 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: 3, replica: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -105.776676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.776676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.776676 (E_RNA) where: Base-Base interactions energy: -69.711 where: short stacking energy: -35.140 Base-Backbone interact. energy: -0.993 local terms energy: -35.071916 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.835 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -5.785 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: 2 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -106.112981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.112981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.112981 (E_RNA) where: Base-Base interactions energy: -74.134 where: short stacking energy: -36.566 Base-Backbone interact. energy: -0.209 local terms energy: -31.769807 where: bonds (distance) C4'-P energy: -5.836 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -6.954 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: 1 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -61.363981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.363981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.363981 (E_RNA) where: Base-Base interactions energy: -30.170 where: short stacking energy: -23.546 Base-Backbone interact. energy: -0.129 local terms energy: -31.065068 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -64.761137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.761137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.761137 (E_RNA) where: Base-Base interactions energy: -32.891 where: short stacking energy: -32.891 Base-Backbone interact. energy: -0.000 local terms energy: -31.870557 where: bonds (distance) C4'-P energy: -7.042 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -3.460 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: 7, replica: 10 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -57.121308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.121308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.121308 (E_RNA) where: Base-Base interactions energy: -27.080 where: short stacking energy: -18.389 Base-Backbone interact. energy: -0.092 local terms energy: -29.949161 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -6.056 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -58.800854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.800854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.800854 (E_RNA) where: Base-Base interactions energy: -28.644 where: short stacking energy: -28.644 Base-Backbone interact. energy: -0.004 local terms energy: -30.152445 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -5.337 flat angles C4'-P-C4' energy: -8.785 flat angles P-C4'-P energy: -1.043 tors. eta vs tors. theta energy: -7.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -57.414733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.414733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.414733 (E_RNA) where: Base-Base interactions energy: -25.002 where: short stacking energy: -24.940 Base-Backbone interact. energy: -0.007 local terms energy: -32.405441 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -3.416 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: 3 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -52.526240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.526240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.526240 (E_RNA) where: Base-Base interactions energy: -21.309 where: short stacking energy: -21.309 Base-Backbone interact. energy: -0.098 local terms energy: -31.120197 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -5.541 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: 8 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -118.415966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.415966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.415966 (E_RNA) where: Base-Base interactions energy: -87.902 where: short stacking energy: -35.294 Base-Backbone interact. energy: -0.018 local terms energy: -30.495728 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -100.572344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.572344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.572344 (E_RNA) where: Base-Base interactions energy: -63.814 where: short stacking energy: -30.987 Base-Backbone interact. energy: -0.068 local terms energy: -36.690802 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -5.288 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: 3, replica: 2 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -104.150166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.150166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.150166 (E_RNA) where: Base-Base interactions energy: -71.973 where: short stacking energy: -36.865 Base-Backbone interact. energy: -0.051 local terms energy: -32.125667 where: bonds (distance) C4'-P energy: -3.743 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -9.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -106.504666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.504666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.504666 (E_RNA) where: Base-Base interactions energy: -70.890 where: short stacking energy: -35.573 Base-Backbone interact. energy: -0.966 local terms energy: -34.648474 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -7.015 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: 5, replica: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -66.237680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.237680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.237680 (E_RNA) where: Base-Base interactions energy: -32.570 where: short stacking energy: -32.570 Base-Backbone interact. energy: -0.000 local terms energy: -33.667305 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -9.617 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: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -74.057642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.057642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.057642 (E_RNA) where: Base-Base interactions energy: -36.967 where: short stacking energy: -36.967 Base-Backbone interact. energy: -0.000 local terms energy: -37.090208 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.125 flat angles P-C4'-P energy: -6.435 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: 7, replica: 7 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -72.197111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.197111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.197111 (E_RNA) where: Base-Base interactions energy: -38.756 where: short stacking energy: -30.920 Base-Backbone interact. energy: -0.111 local terms energy: -33.330169 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -7.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -58.195945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.195945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.195945 (E_RNA) where: Base-Base interactions energy: -24.835 where: short stacking energy: -24.835 Base-Backbone interact. energy: -0.005 local terms energy: -33.355344 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -5.513 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: 3 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -53.397577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.397577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.397577 (E_RNA) where: Base-Base interactions energy: -22.733 where: short stacking energy: -22.733 Base-Backbone interact. energy: -0.093 local terms energy: -30.572022 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -5.631 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: 342 Temperature: 1.350000 Total energy: -64.326732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.326732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.326732 (E_RNA) where: Base-Base interactions energy: -32.862 where: short stacking energy: -32.862 Base-Backbone interact. energy: -0.002 local terms energy: -31.462841 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -8.576 flat angles P-C4'-P energy: -5.368 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: 1, replica: 8 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -118.390736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.390736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.390736 (E_RNA) where: Base-Base interactions energy: -87.660 where: short stacking energy: -34.135 Base-Backbone interact. energy: -0.297 local terms energy: -30.434342 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -2.157 tors. eta vs tors. theta energy: -6.606 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: 2, replica: 9 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -105.793266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.793266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.793266 (E_RNA) where: Base-Base interactions energy: -69.426 where: short stacking energy: -34.560 Base-Backbone interact. energy: -0.163 local terms energy: -36.204709 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -3.434 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: 3, replica: 2 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -106.007399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.007399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.007399 (E_RNA) where: Base-Base interactions energy: -71.973 where: short stacking energy: -36.598 Base-Backbone interact. energy: -0.028 local terms energy: -34.006316 where: bonds (distance) C4'-P energy: -6.714 bonds (distance) P-C4' energy: -6.419 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -8.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -100.301159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.301159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.301159 (E_RNA) where: Base-Base interactions energy: -70.923 where: short stacking energy: -34.905 Base-Backbone interact. energy: -0.006 local terms energy: -29.372564 where: bonds (distance) C4'-P energy: -6.156 bonds (distance) P-C4' energy: -3.288 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -5.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -65.052486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.052486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.052486 (E_RNA) where: Base-Base interactions energy: -31.371 where: short stacking energy: -31.371 Base-Backbone interact. energy: -0.000 local terms energy: -33.681289 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -5.521 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: 1 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -50.019994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.019994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.019994 (E_RNA) where: Base-Base interactions energy: -22.947 where: short stacking energy: -22.947 Base-Backbone interact. energy: -0.080 local terms energy: -26.992502 where: bonds (distance) C4'-P energy: -2.972 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -92.393822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.393822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.393822 (E_RNA) where: Base-Base interactions energy: -62.787 where: short stacking energy: -28.987 Base-Backbone interact. energy: 0.906 local terms energy: -30.512015 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -4.234 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: 8, replica: 3 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -64.742830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.742830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.742830 (E_RNA) where: Base-Base interactions energy: -33.876 where: short stacking energy: -33.876 Base-Backbone interact. energy: -0.000 local terms energy: -30.867058 where: bonds (distance) C4'-P energy: -5.249 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -6.130 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: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -54.150852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.150852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.150852 (E_RNA) where: Base-Base interactions energy: -23.078 where: short stacking energy: -23.078 Base-Backbone interact. energy: -0.005 local terms energy: -31.067100 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -55.842167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.842167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.842167 (E_RNA) where: Base-Base interactions energy: -29.201 where: short stacking energy: -22.562 Base-Backbone interact. energy: -0.170 local terms energy: -26.470906 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.561 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -0.560 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: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -107.653402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.653402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.653402 (E_RNA) where: Base-Base interactions energy: -69.676 where: short stacking energy: -34.923 Base-Backbone interact. energy: -0.912 local terms energy: -37.065213 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.058 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -6.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -116.048640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.048640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.048640 (E_RNA) where: Base-Base interactions energy: -86.390 where: short stacking energy: -34.149 Base-Backbone interact. energy: -0.132 local terms energy: -29.527125 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.380 flat angles P-C4'-P energy: -1.029 tors. eta vs tors. theta energy: -5.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -110.624729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.624729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.624729 (E_RNA) where: Base-Base interactions energy: -71.966 where: short stacking energy: -36.073 Base-Backbone interact. energy: -0.538 local terms energy: -38.120717 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.684 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -6.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -106.666909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.666909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.666909 (E_RNA) where: Base-Base interactions energy: -70.313 where: short stacking energy: -34.471 Base-Backbone interact. energy: -0.021 local terms energy: -36.333409 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: -5.657 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: 5, replica: 1 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -83.323434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.323434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.323434 (E_RNA) where: Base-Base interactions energy: -52.600 where: short stacking energy: -31.352 Base-Backbone interact. energy: 1.102 local terms energy: -31.825695 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -2.326 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: 344 Temperature: 1.150000 Total energy: -62.920841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.920841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.920841 (E_RNA) where: Base-Base interactions energy: -31.019 where: short stacking energy: -31.019 Base-Backbone interact. energy: -0.000 local terms energy: -31.901116 where: bonds (distance) C4'-P energy: -7.134 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -5.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -64.847164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.847164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.847164 (E_RNA) where: Base-Base interactions energy: -31.999 where: short stacking energy: -31.999 Base-Backbone interact. energy: -0.100 local terms energy: -32.748601 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -8.977 flat angles P-C4'-P energy: -5.536 tors. eta vs tors. theta energy: -6.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -88.702595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.702595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.702595 (E_RNA) where: Base-Base interactions energy: -59.807 where: short stacking energy: -23.405 Base-Backbone interact. energy: -0.233 local terms energy: -28.662127 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -5.504 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: 9, replica: 5 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -61.293512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.293512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.293512 (E_RNA) where: Base-Base interactions energy: -31.309 where: short stacking energy: -31.309 Base-Backbone interact. energy: -0.000 local terms energy: -29.984511 where: bonds (distance) C4'-P energy: -5.784 bonds (distance) P-C4' energy: -6.690 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -3.922 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: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -63.395858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.395858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.395858 (E_RNA) where: Base-Base interactions energy: -27.704 where: short stacking energy: -27.704 Base-Backbone interact. energy: -0.065 local terms energy: -35.626454 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.537 flat angles P-C4'-P energy: -4.428 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: 1, replica: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -106.572651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.572651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.572651 (E_RNA) where: Base-Base interactions energy: -69.317 where: short stacking energy: -32.934 Base-Backbone interact. energy: -0.976 local terms energy: -36.279196 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -6.557 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -108.450559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.450559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.450559 (E_RNA) where: Base-Base interactions energy: -74.873 where: short stacking energy: -37.149 Base-Backbone interact. energy: -1.198 local terms energy: -32.379880 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -5.599 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: 3, replica: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -106.100270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.100270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.100270 (E_RNA) where: Base-Base interactions energy: -73.979 where: short stacking energy: -37.041 Base-Backbone interact. energy: -0.004 local terms energy: -32.117313 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -6.342 flat angles C4'-P-C4' energy: -8.750 flat angles P-C4'-P energy: -1.638 tors. eta vs tors. theta energy: -7.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -105.178353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.178353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.178353 (E_RNA) where: Base-Base interactions energy: -68.793 where: short stacking energy: -32.989 Base-Backbone interact. energy: -0.343 local terms energy: -36.042259 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -8.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -61.552862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.552862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.552862 (E_RNA) where: Base-Base interactions energy: -36.729 where: short stacking energy: -24.688 Base-Backbone interact. energy: -0.087 local terms energy: -24.736414 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -8.324 flat angles P-C4'-P energy: -4.366 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: 6, replica: 3 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -59.256905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.256905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.256905 (E_RNA) where: Base-Base interactions energy: -27.502 where: short stacking energy: -27.502 Base-Backbone interact. energy: -0.073 local terms energy: -31.681264 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -4.556 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -6.099 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: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -61.466002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.466002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.466002 (E_RNA) where: Base-Base interactions energy: -30.033 where: short stacking energy: -30.033 Base-Backbone interact. energy: -0.001 local terms energy: -31.432165 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -3.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -67.847497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.847497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.847497 (E_RNA) where: Base-Base interactions energy: -45.321 where: short stacking energy: -19.922 Base-Backbone interact. energy: 2.759 local terms energy: -25.285960 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -2.554 flat angles P-C4'-P energy: -3.871 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: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -49.207622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.207622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.207622 (E_RNA) where: Base-Base interactions energy: -18.605 where: short stacking energy: -18.605 Base-Backbone interact. energy: -0.016 local terms energy: -30.586841 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -46.603842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.603842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.603842 (E_RNA) where: Base-Base interactions energy: -26.279 where: short stacking energy: -26.279 Base-Backbone interact. energy: -0.000 local terms energy: -20.324499 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -6.933 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: 1.125 tors. eta vs tors. theta energy: -2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -110.623834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.623834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.623834 (E_RNA) where: Base-Base interactions energy: -70.618 where: short stacking energy: -34.943 Base-Backbone interact. energy: -0.736 local terms energy: -39.269940 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -5.845 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: 2, replica: 9 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -106.577213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.577213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.577213 (E_RNA) where: Base-Base interactions energy: -70.728 where: short stacking energy: -36.108 Base-Backbone interact. energy: -0.000 local terms energy: -35.849201 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -6.332 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: 3, replica: 2 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -106.736457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.736457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.736457 (E_RNA) where: Base-Base interactions energy: -69.681 where: short stacking energy: -32.082 Base-Backbone interact. energy: -0.004 local terms energy: -37.050732 where: bonds (distance) C4'-P energy: -7.605 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.644 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -107.522814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.522814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.522814 (E_RNA) where: Base-Base interactions energy: -70.965 where: short stacking energy: -35.325 Base-Backbone interact. energy: -0.135 local terms energy: -36.422802 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -8.174 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: 346 Temperature: 1.100000 Total energy: -68.008283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.008283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.008283 (E_RNA) where: Base-Base interactions energy: -34.580 where: short stacking energy: -34.580 Base-Backbone interact. energy: -0.000 local terms energy: -33.428243 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -4.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -67.901116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.901116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.901116 (E_RNA) where: Base-Base interactions energy: -31.741 where: short stacking energy: -31.741 Base-Backbone interact. energy: -0.000 local terms energy: -36.159730 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -9.763 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: 346 Temperature: 1.200000 Total energy: -54.454856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.454856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.454856 (E_RNA) where: Base-Base interactions energy: -25.685 where: short stacking energy: -21.654 Base-Backbone interact. energy: -0.002 local terms energy: -28.767897 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -58.295447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.295447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.295447 (E_RNA) where: Base-Base interactions energy: -26.525 where: short stacking energy: -20.840 Base-Backbone interact. energy: -0.324 local terms energy: -31.446431 where: bonds (distance) C4'-P energy: -7.562 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -61.054171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.054171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.054171 (E_RNA) where: Base-Base interactions energy: -32.125 where: short stacking energy: -32.125 Base-Backbone interact. energy: 0.228 local terms energy: -29.156721 where: bonds (distance) C4'-P energy: -5.725 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -2.826 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -6.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -52.270802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.270802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.270802 (E_RNA) where: Base-Base interactions energy: -25.717 where: short stacking energy: -25.717 Base-Backbone interact. energy: -0.011 local terms energy: -26.543424 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -109.850268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.850268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.850268 (E_RNA) where: Base-Base interactions energy: -70.140 where: short stacking energy: -38.087 Base-Backbone interact. energy: -0.347 local terms energy: -39.363367 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -7.776 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: 9 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -108.172553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.172553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.172553 (E_RNA) where: Base-Base interactions energy: -73.416 where: short stacking energy: -36.949 Base-Backbone interact. energy: -1.398 local terms energy: -33.358186 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -8.198 flat angles P-C4'-P energy: -4.980 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: 3, replica: 2 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -100.277730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.277730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.277730 (E_RNA) where: Base-Base interactions energy: -62.253 where: short stacking energy: -34.837 Base-Backbone interact. energy: -0.019 local terms energy: -38.005512 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -9.171 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -7.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -67.610740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.610740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.610740 (E_RNA) where: Base-Base interactions energy: -29.067 where: short stacking energy: -29.067 Base-Backbone interact. energy: -0.002 local terms energy: -38.540989 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -9.252 flat angles P-C4'-P energy: -7.416 tors. eta vs tors. theta energy: -5.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -100.658563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.658563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.658563 (E_RNA) where: Base-Base interactions energy: -64.229 where: short stacking energy: -30.537 Base-Backbone interact. energy: -0.613 local terms energy: -35.817144 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -5.430 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: 6, replica: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -62.906820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.906820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.906820 (E_RNA) where: Base-Base interactions energy: -28.522 where: short stacking energy: -26.426 Base-Backbone interact. energy: -0.001 local terms energy: -34.383909 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -3.744 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: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -67.335314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.335314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.335314 (E_RNA) where: Base-Base interactions energy: -33.364 where: short stacking energy: -33.364 Base-Backbone interact. energy: -0.000 local terms energy: -33.971339 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -8.082 flat angles C4'-P-C4' energy: -8.648 flat angles P-C4'-P energy: -4.131 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: 8, replica: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -53.370346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.370346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.370346 (E_RNA) where: Base-Base interactions energy: -30.594 where: short stacking energy: -16.603 Base-Backbone interact. energy: -0.053 local terms energy: -22.723339 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: 0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -49.332049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.332049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.332049 (E_RNA) where: Base-Base interactions energy: -22.391 where: short stacking energy: -22.391 Base-Backbone interact. energy: -0.001 local terms energy: -26.940167 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -2.651 tors. eta vs tors. theta energy: -2.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -49.180961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.180961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.180961 (E_RNA) where: Base-Base interactions energy: -25.579 where: short stacking energy: -18.582 Base-Backbone interact. energy: -0.025 local terms energy: -23.576670 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -111.948950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.948950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.948950 (E_RNA) where: Base-Base interactions energy: -72.875 where: short stacking energy: -37.475 Base-Backbone interact. energy: -1.014 local terms energy: -38.060080 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -8.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -111.005670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.005670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.005670 (E_RNA) where: Base-Base interactions energy: -72.363 where: short stacking energy: -34.251 Base-Backbone interact. energy: -1.369 local terms energy: -37.273537 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -5.870 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -9.357 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: 348 Temperature: 1.000000 Total energy: -104.933218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.933218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.933218 (E_RNA) where: Base-Base interactions energy: -68.658 where: short stacking energy: -29.552 Base-Backbone interact. energy: 0.038 local terms energy: -36.313274 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -8.871 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -64.449891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.449891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.449891 (E_RNA) where: Base-Base interactions energy: -32.382 where: short stacking energy: -32.382 Base-Backbone interact. energy: -0.467 local terms energy: -31.600859 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -9.192 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -5.754 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: 8 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -101.813581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.813581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.813581 (E_RNA) where: Base-Base interactions energy: -68.882 where: short stacking energy: -34.619 Base-Backbone interact. energy: -0.669 local terms energy: -32.263070 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -5.646 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: 6, replica: 5 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -68.156484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.156484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.156484 (E_RNA) where: Base-Base interactions energy: -38.169 where: short stacking energy: -21.687 Base-Backbone interact. energy: -0.004 local terms energy: -29.983143 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -3.219 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: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -59.761092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.761092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.761092 (E_RNA) where: Base-Base interactions energy: -27.581 where: short stacking energy: -21.324 Base-Backbone interact. energy: -0.003 local terms energy: -32.176474 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -4.960 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -3.657 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: 8, replica: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -52.199062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.199062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.199062 (E_RNA) where: Base-Base interactions energy: -37.498 where: short stacking energy: -13.808 Base-Backbone interact. energy: -0.127 local terms energy: -14.573774 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -5.333 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: 0.450 tors. eta vs tors. theta energy: 0.366 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: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -58.736020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.736020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.736020 (E_RNA) where: Base-Base interactions energy: -31.500 where: short stacking energy: -22.694 Base-Backbone interact. energy: -0.000 local terms energy: -27.236467 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: -3.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -89.177407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.177407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.177407 (E_RNA) where: Base-Base interactions energy: -55.823 where: short stacking energy: -23.332 Base-Backbone interact. energy: -1.793 local terms energy: -31.561102 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -4.292 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: 1, replica: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -108.057695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.057695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.057695 (E_RNA) where: Base-Base interactions energy: -71.152 where: short stacking energy: -34.665 Base-Backbone interact. energy: -0.089 local terms energy: -36.817177 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -6.569 tors. eta vs tors. theta energy: -9.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -104.317403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.317403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.317403 (E_RNA) where: Base-Base interactions energy: -68.167 where: short stacking energy: -32.661 Base-Backbone interact. energy: -0.001 local terms energy: -36.149020 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -6.047 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: 349 Temperature: 1.000000 Total energy: -104.760525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.760525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.760525 (E_RNA) where: Base-Base interactions energy: -71.045 where: short stacking energy: -35.169 Base-Backbone interact. energy: -0.402 local terms energy: -33.313712 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -8.835 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -96.483008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.483008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.483008 (E_RNA) where: Base-Base interactions energy: -60.793 where: short stacking energy: -28.857 Base-Backbone interact. energy: -0.688 local terms energy: -35.002134 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -6.697 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: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -68.968393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.968393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.968393 (E_RNA) where: Base-Base interactions energy: -39.928 where: short stacking energy: -33.139 Base-Backbone interact. energy: -0.035 local terms energy: -29.005396 where: bonds (distance) C4'-P energy: -4.625 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -7.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -66.316553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.316553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.316553 (E_RNA) where: Base-Base interactions energy: -31.537 where: short stacking energy: -31.537 Base-Backbone interact. energy: -0.000 local terms energy: -34.779765 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -5.782 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: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -60.198702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.198702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.198702 (E_RNA) where: Base-Base interactions energy: -31.760 where: short stacking energy: -31.760 Base-Backbone interact. energy: -0.031 local terms energy: -28.408228 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -2.346 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -68.394186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.394186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.394186 (E_RNA) where: Base-Base interactions energy: -32.162 where: short stacking energy: -26.803 Base-Backbone interact. energy: -0.000 local terms energy: -36.231843 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -8.579 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: 1 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -61.353030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.353030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.353030 (E_RNA) where: Base-Base interactions energy: -31.846 where: short stacking energy: -24.957 Base-Backbone interact. energy: -0.035 local terms energy: -29.472891 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.560 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -81.026339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.026339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.026339 (E_RNA) where: Base-Base interactions energy: -50.337 where: short stacking energy: -26.343 Base-Backbone interact. energy: -0.000 local terms energy: -30.688841 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -5.914 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -5.912 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: 1, replica: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -104.332590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.332590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.332590 (E_RNA) where: Base-Base interactions energy: -69.593 where: short stacking energy: -31.499 Base-Backbone interact. energy: -0.000 local terms energy: -34.739126 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -6.685 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: 4 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -108.858310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.858310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.858310 (E_RNA) where: Base-Base interactions energy: -73.485 where: short stacking energy: -37.252 Base-Backbone interact. energy: -1.283 local terms energy: -34.089828 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -5.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -104.615317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.615317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.615317 (E_RNA) where: Base-Base interactions energy: -67.996 where: short stacking energy: -36.247 Base-Backbone interact. energy: -0.001 local terms energy: -36.617957 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -7.186 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: 4, replica: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -108.659356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.659356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.659356 (E_RNA) where: Base-Base interactions energy: -70.694 where: short stacking energy: -36.579 Base-Backbone interact. energy: -2.466 local terms energy: -35.499591 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -6.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -58.465193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.465193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.465193 (E_RNA) where: Base-Base interactions energy: -32.189 where: short stacking energy: -14.121 Base-Backbone interact. energy: -2.074 local terms energy: -24.201749 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: 0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -62.665466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.665466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.665466 (E_RNA) where: Base-Base interactions energy: -34.208 where: short stacking energy: -34.208 Base-Backbone interact. energy: 0.143 local terms energy: -28.600393 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -1.496 tors. eta vs tors. theta energy: -6.054 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: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -80.383612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.383612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.383612 (E_RNA) where: Base-Base interactions energy: -49.673 where: short stacking energy: -20.540 Base-Backbone interact. energy: -0.004 local terms energy: -30.705960 where: bonds (distance) C4'-P energy: -6.726 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -60.242968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.242968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.242968 (E_RNA) where: Base-Base interactions energy: -35.379 where: short stacking energy: -12.305 Base-Backbone interact. energy: -0.436 local terms energy: -24.427897 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -3.704 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -0.049 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: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -83.400377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.400377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.400377 (E_RNA) where: Base-Base interactions energy: -58.500 where: short stacking energy: -19.656 Base-Backbone interact. energy: 0.027 local terms energy: -24.927199 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -6.285 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: 10, replica: 1 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -50.440594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.440594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.440594 (E_RNA) where: Base-Base interactions energy: -22.678 where: short stacking energy: -20.278 Base-Backbone interact. energy: -0.084 local terms energy: -27.679212 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -101.500027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.500027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.500027 (E_RNA) where: Base-Base interactions energy: -65.524 where: short stacking energy: -32.941 Base-Backbone interact. energy: -0.005 local terms energy: -35.971837 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -8.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -106.971216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.971216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.971216 (E_RNA) where: Base-Base interactions energy: -76.006 where: short stacking energy: -31.440 Base-Backbone interact. energy: -0.012 local terms energy: -30.953764 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -7.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -105.776512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.776512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.776512 (E_RNA) where: Base-Base interactions energy: -69.940 where: short stacking energy: -35.696 Base-Backbone interact. energy: -1.305 local terms energy: -34.531931 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.844 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -103.566243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.566243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.566243 (E_RNA) where: Base-Base interactions energy: -70.498 where: short stacking energy: -35.498 Base-Backbone interact. energy: 1.541 local terms energy: -34.608473 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -8.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -69.458596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.458596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.458596 (E_RNA) where: Base-Base interactions energy: -38.120 where: short stacking energy: -38.120 Base-Backbone interact. energy: -0.000 local terms energy: -31.338590 where: bonds (distance) C4'-P energy: -3.616 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -5.512 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: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -81.174801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.174801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.174801 (E_RNA) where: Base-Base interactions energy: -50.758 where: short stacking energy: -29.673 Base-Backbone interact. energy: -0.000 local terms energy: -30.416502 where: bonds (distance) C4'-P energy: -4.072 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -2.508 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: 7, replica: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -63.025669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.025669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.025669 (E_RNA) where: Base-Base interactions energy: -27.998 where: short stacking energy: -27.998 Base-Backbone interact. energy: -0.000 local terms energy: -35.027480 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -6.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -63.270299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.270299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.270299 (E_RNA) where: Base-Base interactions energy: -31.096 where: short stacking energy: -26.279 Base-Backbone interact. energy: -0.001 local terms energy: -32.172929 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -6.371 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -4.368 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: 5 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -85.741524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.741524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.741524 (E_RNA) where: Base-Base interactions energy: -56.542 where: short stacking energy: -22.514 Base-Backbone interact. energy: -0.124 local terms energy: -29.076156 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -2.380 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: 1 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -48.389951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.389951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.389951 (E_RNA) where: Base-Base interactions energy: -22.363 where: short stacking energy: -22.363 Base-Backbone interact. energy: -0.117 local terms energy: -25.910598 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -3.790 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: 1, replica: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -106.898104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.898104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.898104 (E_RNA) where: Base-Base interactions energy: -72.585 where: short stacking energy: -37.700 Base-Backbone interact. energy: 0.432 local terms energy: -34.744783 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.282 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -8.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -103.588683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.588683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.588683 (E_RNA) where: Base-Base interactions energy: -71.059 where: short stacking energy: -35.397 Base-Backbone interact. energy: -0.001 local terms energy: -32.529203 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -1.553 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: 3, replica: 9 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -109.228903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.228903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.228903 (E_RNA) where: Base-Base interactions energy: -68.676 where: short stacking energy: -33.857 Base-Backbone interact. energy: -1.676 local terms energy: -38.877606 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -7.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -104.059794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.059794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.059794 (E_RNA) where: Base-Base interactions energy: -67.985 where: short stacking energy: -35.020 Base-Backbone interact. energy: -0.802 local terms energy: -35.272961 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -9.341 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -7.636 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: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -94.819084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.819084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.819084 (E_RNA) where: Base-Base interactions energy: -63.634 where: short stacking energy: -29.426 Base-Backbone interact. energy: -0.522 local terms energy: -30.663551 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: -5.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -69.742032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.742032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.742032 (E_RNA) where: Base-Base interactions energy: -36.100 where: short stacking energy: -36.100 Base-Backbone interact. energy: -0.044 local terms energy: -33.597994 where: bonds (distance) C4'-P energy: -4.666 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -8.974 flat angles P-C4'-P energy: -3.153 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: 7, replica: 10 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -65.372944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.372944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.372944 (E_RNA) where: Base-Base interactions energy: -44.504 where: short stacking energy: -16.466 Base-Backbone interact. energy: -0.179 local terms energy: -20.690217 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -3.624 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: 2.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -61.779864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.779864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.779864 (E_RNA) where: Base-Base interactions energy: -29.472 where: short stacking energy: -29.472 Base-Backbone interact. energy: -0.000 local terms energy: -32.308146 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -6.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -53.391116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.391116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.391116 (E_RNA) where: Base-Base interactions energy: -28.128 where: short stacking energy: -28.128 Base-Backbone interact. energy: -0.016 local terms energy: -25.247322 where: bonds (distance) C4'-P energy: -4.512 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -3.314 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -53.726673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.726673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.726673 (E_RNA) where: Base-Base interactions energy: -23.393 where: short stacking energy: -18.571 Base-Backbone interact. energy: -1.379 local terms energy: -28.954699 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -4.840 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: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -109.709188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.709188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.709188 (E_RNA) where: Base-Base interactions energy: -72.614 where: short stacking energy: -35.768 Base-Backbone interact. energy: -0.017 local terms energy: -37.077561 where: bonds (distance) C4'-P energy: -7.621 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -8.349 flat angles P-C4'-P energy: -5.019 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: 2, replica: 9 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -96.088540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.088540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.088540 (E_RNA) where: Base-Base interactions energy: -62.696 where: short stacking energy: -30.707 Base-Backbone interact. energy: -1.606 local terms energy: -31.787045 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -6.528 tors. eta vs tors. theta energy: -4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -101.348367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.348367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.348367 (E_RNA) where: Base-Base interactions energy: -66.270 where: short stacking energy: -30.770 Base-Backbone interact. energy: -0.419 local terms energy: -34.659761 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: -8.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -105.586813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.586813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.586813 (E_RNA) where: Base-Base interactions energy: -67.862 where: short stacking energy: -33.543 Base-Backbone interact. energy: -0.995 local terms energy: -36.730005 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -8.175 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: 4 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -97.712629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.712629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.712629 (E_RNA) where: Base-Base interactions energy: -66.022 where: short stacking energy: -31.519 Base-Backbone interact. energy: -0.011 local terms energy: -31.678744 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -7.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -63.799012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.799012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.799012 (E_RNA) where: Base-Base interactions energy: -29.478 where: short stacking energy: -29.478 Base-Backbone interact. energy: -0.053 local terms energy: -34.268078 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -7.479 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: 7, replica: 10 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -65.049093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.049093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.049093 (E_RNA) where: Base-Base interactions energy: -37.024 where: short stacking energy: -15.176 Base-Backbone interact. energy: -0.142 local terms energy: -27.883117 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -0.360 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: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -58.338300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.338300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.338300 (E_RNA) where: Base-Base interactions energy: -25.073 where: short stacking energy: -25.073 Base-Backbone interact. energy: -0.000 local terms energy: -33.264711 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -6.072 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: 9, replica: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -54.085784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.085784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.085784 (E_RNA) where: Base-Base interactions energy: -24.284 where: short stacking energy: -20.395 Base-Backbone interact. energy: -0.100 local terms energy: -29.702217 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -54.582856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.582856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.582856 (E_RNA) where: Base-Base interactions energy: -25.663 where: short stacking energy: -25.663 Base-Backbone interact. energy: -0.000 local terms energy: -28.920148 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -3.364 flat angles P-C4'-P energy: -4.540 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: 9 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -107.624468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.624468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.624468 (E_RNA) where: Base-Base interactions energy: -69.510 where: short stacking energy: -35.370 Base-Backbone interact. energy: -1.979 local terms energy: -36.134871 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -6.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -108.320350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.320350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.320350 (E_RNA) where: Base-Base interactions energy: -70.752 where: short stacking energy: -34.538 Base-Backbone interact. energy: -1.603 local terms energy: -35.964982 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -5.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -111.229543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.229543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.229543 (E_RNA) where: Base-Base interactions energy: -71.381 where: short stacking energy: -35.932 Base-Backbone interact. energy: -1.243 local terms energy: -38.605938 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -7.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -104.566348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.566348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.566348 (E_RNA) where: Base-Base interactions energy: -69.821 where: short stacking energy: -35.005 Base-Backbone interact. energy: -0.231 local terms energy: -34.514208 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -7.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -97.736472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.736472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.736472 (E_RNA) where: Base-Base interactions energy: -68.920 where: short stacking energy: -34.489 Base-Backbone interact. energy: -0.002 local terms energy: -28.815102 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -7.406 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -3.041 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -67.303639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.303639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.303639 (E_RNA) where: Base-Base interactions energy: -36.192 where: short stacking energy: -25.807 Base-Backbone interact. energy: -0.606 local terms energy: -30.505221 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -58.951574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.951574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.951574 (E_RNA) where: Base-Base interactions energy: -25.814 where: short stacking energy: -20.920 Base-Backbone interact. energy: -0.100 local terms energy: -33.037733 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -5.787 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: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -64.675251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.675251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.675251 (E_RNA) where: Base-Base interactions energy: -30.543 where: short stacking energy: -30.543 Base-Backbone interact. energy: -0.001 local terms energy: -34.131148 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -4.050 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: 9, replica: 3 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -48.686898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.686898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.686898 (E_RNA) where: Base-Base interactions energy: -25.052 where: short stacking energy: -24.038 Base-Backbone interact. energy: -0.084 local terms energy: -23.550690 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -2.094 tors. eta vs tors. theta energy: 0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -60.044416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.044416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.044416 (E_RNA) where: Base-Base interactions energy: -28.429 where: short stacking energy: -28.429 Base-Backbone interact. energy: -0.035 local terms energy: -31.580021 where: bonds (distance) C4'-P energy: -7.058 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -5.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -101.506670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.506670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.506670 (E_RNA) where: Base-Base interactions energy: -69.699 where: short stacking energy: -32.315 Base-Backbone interact. energy: -0.008 local terms energy: -31.799267 where: bonds (distance) C4'-P energy: -5.217 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.141 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -5.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -108.828382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.828382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.828382 (E_RNA) where: Base-Base interactions energy: -70.969 where: short stacking energy: -35.297 Base-Backbone interact. energy: -1.085 local terms energy: -36.774008 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: -6.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -98.204280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.204280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.204280 (E_RNA) where: Base-Base interactions energy: -69.121 where: short stacking energy: -20.629 Base-Backbone interact. energy: -0.212 local terms energy: -28.871501 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -4.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -96.642292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.642292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.642292 (E_RNA) where: Base-Base interactions energy: -67.771 where: short stacking energy: -31.391 Base-Backbone interact. energy: -0.982 local terms energy: -27.888847 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -5.845 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -4.606 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: 5, replica: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -102.313837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.313837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.313837 (E_RNA) where: Base-Base interactions energy: -68.973 where: short stacking energy: -31.481 Base-Backbone interact. energy: -0.963 local terms energy: -32.377915 where: bonds (distance) C4'-P energy: -6.536 bonds (distance) P-C4' energy: -6.368 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -6.439 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -64.200359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.200359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.200359 (E_RNA) where: Base-Base interactions energy: -30.174 where: short stacking energy: -30.174 Base-Backbone interact. energy: -0.000 local terms energy: -34.025536 where: bonds (distance) C4'-P energy: -6.076 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -8.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -70.408064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.408064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.408064 (E_RNA) where: Base-Base interactions energy: -43.323 where: short stacking energy: -30.215 Base-Backbone interact. energy: 0.612 local terms energy: -27.696880 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.314 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -3.582 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: 8, replica: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -84.455199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.455199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.455199 (E_RNA) where: Base-Base interactions energy: -58.777 where: short stacking energy: -28.752 Base-Backbone interact. energy: 0.356 local terms energy: -26.034189 where: bonds (distance) C4'-P energy: -4.828 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -2.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -53.995911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.995911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.995911 (E_RNA) where: Base-Base interactions energy: -22.648 where: short stacking energy: -23.148 Base-Backbone interact. energy: -0.015 local terms energy: -31.333240 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -5.509 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: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -51.930853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.930853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.930853 (E_RNA) where: Base-Base interactions energy: -23.244 where: short stacking energy: -23.244 Base-Backbone interact. energy: -0.052 local terms energy: -28.635326 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -3.501 flat angles P-C4'-P energy: -6.493 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -109.811733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.811733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.811733 (E_RNA) where: Base-Base interactions energy: -72.968 where: short stacking energy: -35.408 Base-Backbone interact. energy: -0.494 local terms energy: -36.349297 where: bonds (distance) C4'-P energy: -7.347 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -6.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -108.238273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.238273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.238273 (E_RNA) where: Base-Base interactions energy: -76.392 where: short stacking energy: -34.008 Base-Backbone interact. energy: -0.105 local terms energy: -31.740932 where: bonds (distance) C4'-P energy: -6.359 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -5.613 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -104.688005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.688005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.688005 (E_RNA) where: Base-Base interactions energy: -69.261 where: short stacking energy: -28.063 Base-Backbone interact. energy: -0.499 local terms energy: -34.928151 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: -8.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -99.558826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.558826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.558826 (E_RNA) where: Base-Base interactions energy: -66.937 where: short stacking energy: -31.808 Base-Backbone interact. energy: -0.212 local terms energy: -32.410230 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -6.182 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: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -106.040421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.040421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.040421 (E_RNA) where: Base-Base interactions energy: -78.411 where: short stacking energy: -33.842 Base-Backbone interact. energy: -0.030 local terms energy: -27.599789 where: bonds (distance) C4'-P energy: -5.887 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -7.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -58.700573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.700573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.700573 (E_RNA) where: Base-Base interactions energy: -30.620 where: short stacking energy: -25.591 Base-Backbone interact. energy: -0.218 local terms energy: -27.862812 where: bonds (distance) C4'-P energy: -3.440 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -102.611756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.611756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.611756 (E_RNA) where: Base-Base interactions energy: -69.144 where: short stacking energy: -35.144 Base-Backbone interact. energy: -0.343 local terms energy: -33.124243 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -3.895 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: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -51.416886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.416886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.416886 (E_RNA) where: Base-Base interactions energy: -25.543 where: short stacking energy: -15.304 Base-Backbone interact. energy: -0.085 local terms energy: -25.788465 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -46.533033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.533033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.533033 (E_RNA) where: Base-Base interactions energy: -18.964 where: short stacking energy: -8.675 Base-Backbone interact. energy: -0.332 local terms energy: -27.236589 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -1.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -61.318681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.318681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.318681 (E_RNA) where: Base-Base interactions energy: -34.381 where: short stacking energy: -21.095 Base-Backbone interact. energy: -0.030 local terms energy: -26.907380 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -3.125 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: 1, replica: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -113.109871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.109871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.109871 (E_RNA) where: Base-Base interactions energy: -70.547 where: short stacking energy: -35.336 Base-Backbone interact. energy: -1.129 local terms energy: -41.433373 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -7.790 tors. eta vs tors. theta energy: -8.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -109.469063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.469063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.469063 (E_RNA) where: Base-Base interactions energy: -72.419 where: short stacking energy: -36.643 Base-Backbone interact. energy: -0.750 local terms energy: -36.300015 where: bonds (distance) C4'-P energy: -7.291 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -6.238 tors. eta vs tors. theta energy: -7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -98.928706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.928706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.928706 (E_RNA) where: Base-Base interactions energy: -68.362 where: short stacking energy: -26.015 Base-Backbone interact. energy: -1.304 local terms energy: -29.262315 where: bonds (distance) C4'-P energy: -4.310 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -96.067840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.067840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.067840 (E_RNA) where: Base-Base interactions energy: -60.164 where: short stacking energy: -27.297 Base-Backbone interact. energy: -0.349 local terms energy: -35.555490 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -4.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -96.240962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.240962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.240962 (E_RNA) where: Base-Base interactions energy: -62.417 where: short stacking energy: -29.533 Base-Backbone interact. energy: -0.654 local terms energy: -33.169390 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -5.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -99.133730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.133730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.133730 (E_RNA) where: Base-Base interactions energy: -64.468 where: short stacking energy: -33.114 Base-Backbone interact. energy: -0.001 local terms energy: -34.664572 where: bonds (distance) C4'-P energy: -5.832 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -6.273 tors. eta vs tors. theta energy: -7.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -58.565161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.565161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.565161 (E_RNA) where: Base-Base interactions energy: -36.507 where: short stacking energy: -20.777 Base-Backbone interact. energy: -0.660 local terms energy: -21.397823 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -5.479 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: 1.220 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: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -62.696984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.696984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.696984 (E_RNA) where: Base-Base interactions energy: -33.976 where: short stacking energy: -33.976 Base-Backbone interact. energy: -0.000 local terms energy: -28.720667 where: bonds (distance) C4'-P energy: -2.968 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -8.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -56.466071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.466071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.466071 (E_RNA) where: Base-Base interactions energy: -24.900 where: short stacking energy: -23.711 Base-Backbone interact. energy: -0.007 local terms energy: -31.558731 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -2.832 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -53.349746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.349746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.349746 (E_RNA) where: Base-Base interactions energy: -29.137 where: short stacking energy: -16.269 Base-Backbone interact. energy: -0.091 local terms energy: -24.121748 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -6.353 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -0.997 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -108.798483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.798483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.798483 (E_RNA) where: Base-Base interactions energy: -75.241 where: short stacking energy: -30.083 Base-Backbone interact. energy: -0.002 local terms energy: -33.555856 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -2.172 tors. eta vs tors. theta energy: -7.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -105.872993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.872993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.872993 (E_RNA) where: Base-Base interactions energy: -70.920 where: short stacking energy: -35.742 Base-Backbone interact. energy: -0.252 local terms energy: -34.700826 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.644 flat angles C4'-P-C4' energy: -9.305 flat angles P-C4'-P energy: -4.101 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: 3, replica: 8 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -95.915121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.915121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.915121 (E_RNA) where: Base-Base interactions energy: -65.760 where: short stacking energy: -23.210 Base-Backbone interact. energy: -0.236 local terms energy: -29.919402 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -7.782 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -107.407082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.407082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.407082 (E_RNA) where: Base-Base interactions energy: -72.713 where: short stacking energy: -36.848 Base-Backbone interact. energy: -1.169 local terms energy: -33.525189 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -6.717 flat angles C4'-P-C4' energy: -9.249 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -96.119358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.119358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.119358 (E_RNA) where: Base-Base interactions energy: -61.552 where: short stacking energy: -26.640 Base-Backbone interact. energy: -0.010 local terms energy: -34.557125 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -4.182 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: 6, replica: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -98.960552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.960552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.960552 (E_RNA) where: Base-Base interactions energy: -67.113 where: short stacking energy: -32.558 Base-Backbone interact. energy: -1.050 local terms energy: -30.797937 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.424 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -6.884 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: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -77.539383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.539383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.539383 (E_RNA) where: Base-Base interactions energy: -46.446 where: short stacking energy: -21.608 Base-Backbone interact. energy: -0.959 local terms energy: -30.134662 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -5.895 tors. eta vs tors. theta energy: -4.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -60.828112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.828112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.828112 (E_RNA) where: Base-Base interactions energy: -33.833 where: short stacking energy: -16.013 Base-Backbone interact. energy: 0.236 local terms energy: -27.231367 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: 0.072 tors. eta vs tors. theta energy: -1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -63.417448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.417448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.417448 (E_RNA) where: Base-Base interactions energy: -29.030 where: short stacking energy: -29.030 Base-Backbone interact. energy: -0.001 local terms energy: -34.387082 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -64.308387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.308387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.308387 (E_RNA) where: Base-Base interactions energy: -34.223 where: short stacking energy: -25.145 Base-Backbone interact. energy: -0.001 local terms energy: -30.084211 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -2.785 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: 1, replica: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -110.770080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.770080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.770080 (E_RNA) where: Base-Base interactions energy: -77.433 where: short stacking energy: -32.383 Base-Backbone interact. energy: 0.423 local terms energy: -33.759630 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.551 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -0.859 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: 2, replica: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -119.239142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.239142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.239142 (E_RNA) where: Base-Base interactions energy: -85.566 where: short stacking energy: -33.490 Base-Backbone interact. energy: -0.019 local terms energy: -33.653818 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -99.913806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.913806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.913806 (E_RNA) where: Base-Base interactions energy: -66.118 where: short stacking energy: -33.510 Base-Backbone interact. energy: -0.006 local terms energy: -33.789816 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -7.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -98.616750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.616750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.616750 (E_RNA) where: Base-Base interactions energy: -62.485 where: short stacking energy: -33.287 Base-Backbone interact. energy: -0.001 local terms energy: -36.130659 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.717 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -102.255594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.255594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.255594 (E_RNA) where: Base-Base interactions energy: -74.914 where: short stacking energy: -29.966 Base-Backbone interact. energy: -0.022 local terms energy: -27.319604 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: 1.051 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: 6, replica: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -103.795679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.795679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.795679 (E_RNA) where: Base-Base interactions energy: -67.216 where: short stacking energy: -33.572 Base-Backbone interact. energy: -0.011 local terms energy: -36.568491 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -4.298 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: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -65.638604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.638604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.638604 (E_RNA) where: Base-Base interactions energy: -36.312 where: short stacking energy: -22.170 Base-Backbone interact. energy: -0.002 local terms energy: -29.324809 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -5.310 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: 8, replica: 10 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -54.866070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.866070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.866070 (E_RNA) where: Base-Base interactions energy: -24.616 where: short stacking energy: -17.016 Base-Backbone interact. energy: -0.553 local terms energy: -29.697325 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -49.375683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.375683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.375683 (E_RNA) where: Base-Base interactions energy: -22.575 where: short stacking energy: -21.120 Base-Backbone interact. energy: -0.142 local terms energy: -26.659055 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -53.283288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.283288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.283288 (E_RNA) where: Base-Base interactions energy: -25.387 where: short stacking energy: -19.022 Base-Backbone interact. energy: -0.359 local terms energy: -27.537270 where: bonds (distance) C4'-P energy: -4.981 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -112.180913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.180913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.180913 (E_RNA) where: Base-Base interactions energy: -72.149 where: short stacking energy: -35.998 Base-Backbone interact. energy: -1.656 local terms energy: -38.375591 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -7.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -112.917816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.917816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.917816 (E_RNA) where: Base-Base interactions energy: -78.281 where: short stacking energy: -33.746 Base-Backbone interact. energy: -0.019 local terms energy: -34.617881 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.793 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -95.377064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.377064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.377064 (E_RNA) where: Base-Base interactions energy: -62.730 where: short stacking energy: -30.488 Base-Backbone interact. energy: -0.001 local terms energy: -32.645190 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -7.077 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -102.333034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.333034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.333034 (E_RNA) where: Base-Base interactions energy: -68.100 where: short stacking energy: -34.411 Base-Backbone interact. energy: -1.816 local terms energy: -32.416552 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -6.233 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: 5, replica: 4 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -104.552285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.552285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.552285 (E_RNA) where: Base-Base interactions energy: -73.443 where: short stacking energy: -36.701 Base-Backbone interact. energy: -0.421 local terms energy: -30.687822 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.732 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -5.153 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: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -102.102738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.102738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.102738 (E_RNA) where: Base-Base interactions energy: -69.340 where: short stacking energy: -35.581 Base-Backbone interact. energy: -0.492 local terms energy: -32.270028 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -8.321 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -6.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -81.336994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.336994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.336994 (E_RNA) where: Base-Base interactions energy: -49.569 where: short stacking energy: -29.176 Base-Backbone interact. energy: -0.261 local terms energy: -31.506459 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -5.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -60.452353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.452353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.452353 (E_RNA) where: Base-Base interactions energy: -31.429 where: short stacking energy: -22.789 Base-Backbone interact. energy: -0.039 local terms energy: -28.984134 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -2.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -67.132031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.132031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.132031 (E_RNA) where: Base-Base interactions energy: -40.865 where: short stacking energy: -11.383 Base-Backbone interact. energy: -0.466 local terms energy: -25.800826 where: bonds (distance) C4'-P energy: -3.924 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -1.588 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: 5 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -46.989845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.989845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.989845 (E_RNA) where: Base-Base interactions energy: -24.358 where: short stacking energy: -21.542 Base-Backbone interact. energy: -0.020 local terms energy: -22.612422 where: bonds (distance) C4'-P energy: -4.915 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -7.992 flat angles P-C4'-P energy: -1.466 tors. eta vs tors. theta energy: -2.008 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: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -107.635273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.635273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.635273 (E_RNA) where: Base-Base interactions energy: -69.694 where: short stacking energy: -33.365 Base-Backbone interact. energy: -1.243 local terms energy: -36.697402 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -106.254669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.254669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.254669 (E_RNA) where: Base-Base interactions energy: -72.218 where: short stacking energy: -37.413 Base-Backbone interact. energy: -0.920 local terms energy: -33.117601 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -5.550 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: 3, replica: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -107.207331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.207331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.207331 (E_RNA) where: Base-Base interactions energy: -72.796 where: short stacking energy: -35.481 Base-Backbone interact. energy: -1.670 local terms energy: -32.741509 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -4.890 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -5.431 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: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -104.979251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.979251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.979251 (E_RNA) where: Base-Base interactions energy: -69.778 where: short stacking energy: -34.876 Base-Backbone interact. energy: -0.014 local terms energy: -35.186836 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -5.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -102.969843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.969843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.969843 (E_RNA) where: Base-Base interactions energy: -71.503 where: short stacking energy: -33.089 Base-Backbone interact. energy: -0.001 local terms energy: -31.465348 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -6.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -89.482305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.482305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.482305 (E_RNA) where: Base-Base interactions energy: -58.040 where: short stacking energy: -29.774 Base-Backbone interact. energy: -0.110 local terms energy: -31.331858 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -2.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -96.794826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.794826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.794826 (E_RNA) where: Base-Base interactions energy: -65.566 where: short stacking energy: -33.387 Base-Backbone interact. energy: -0.657 local terms energy: -30.572141 where: bonds (distance) C4'-P energy: -4.602 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -8.820 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -78.962678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.962678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.962678 (E_RNA) where: Base-Base interactions energy: -54.154 where: short stacking energy: -24.288 Base-Backbone interact. energy: -0.311 local terms energy: -24.497521 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.420 flat angles C4'-P-C4' energy: -3.372 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -3.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -57.032694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.032694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.032694 (E_RNA) where: Base-Base interactions energy: -23.493 where: short stacking energy: -23.449 Base-Backbone interact. energy: -0.037 local terms energy: -33.501849 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -5.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -55.910846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.910846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.910846 (E_RNA) where: Base-Base interactions energy: -23.339 where: short stacking energy: -18.761 Base-Backbone interact. energy: -0.130 local terms energy: -32.442437 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -110.792808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.792808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.792808 (E_RNA) where: Base-Base interactions energy: -71.627 where: short stacking energy: -35.760 Base-Backbone interact. energy: -1.245 local terms energy: -37.920552 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -6.445 tors. eta vs tors. theta energy: -7.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -107.156119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.156119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.156119 (E_RNA) where: Base-Base interactions energy: -70.834 where: short stacking energy: -36.142 Base-Backbone interact. energy: -0.258 local terms energy: -36.064277 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -8.310 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: 362 Temperature: 1.000000 Total energy: -104.789977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.789977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.789977 (E_RNA) where: Base-Base interactions energy: -68.785 where: short stacking energy: -32.759 Base-Backbone interact. energy: -0.003 local terms energy: -36.001752 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.776 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -6.974 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: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -107.891577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.891577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.891577 (E_RNA) where: Base-Base interactions energy: -67.059 where: short stacking energy: -33.340 Base-Backbone interact. energy: -1.149 local terms energy: -39.684375 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.379 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -8.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -90.009810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.009810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.009810 (E_RNA) where: Base-Base interactions energy: -63.521 where: short stacking energy: -23.739 Base-Backbone interact. energy: -0.165 local terms energy: -26.323943 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -4.399 flat angles P-C4'-P energy: -3.099 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: 6, replica: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -99.785083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.785083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.785083 (E_RNA) where: Base-Base interactions energy: -66.618 where: short stacking energy: -27.596 Base-Backbone interact. energy: -0.576 local terms energy: -32.591030 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.903 flat angles P-C4'-P energy: -1.697 tors. eta vs tors. theta energy: -5.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -99.279336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.279336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.279336 (E_RNA) where: Base-Base interactions energy: -66.084 where: short stacking energy: -29.184 Base-Backbone interact. energy: -0.188 local terms energy: -33.006884 where: bonds (distance) C4'-P energy: -5.103 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -3.321 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: 8, replica: 7 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -58.418545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.418545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.418545 (E_RNA) where: Base-Base interactions energy: -24.127 where: short stacking energy: -24.127 Base-Backbone interact. energy: 0.425 local terms energy: -34.716712 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -5.926 tors. eta vs tors. theta energy: -7.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -57.337438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.337438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.337438 (E_RNA) where: Base-Base interactions energy: -26.594 where: short stacking energy: -26.594 Base-Backbone interact. energy: -0.000 local terms energy: -30.743677 where: bonds (distance) C4'-P energy: -6.819 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -6.388 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: 10, replica: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -50.056199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.056199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.056199 (E_RNA) where: Base-Base interactions energy: -21.013 where: short stacking energy: -21.013 Base-Backbone interact. energy: -0.001 local terms energy: -29.042131 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -3.950 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: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -109.170456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.170456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.170456 (E_RNA) where: Base-Base interactions energy: -70.125 where: short stacking energy: -35.379 Base-Backbone interact. energy: -0.818 local terms energy: -38.227588 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -5.444 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: 2, replica: 4 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -110.804296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.804296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.804296 (E_RNA) where: Base-Base interactions energy: -74.442 where: short stacking energy: -31.728 Base-Backbone interact. energy: -0.133 local terms energy: -36.229310 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -8.072 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: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -109.559732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.559732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.559732 (E_RNA) where: Base-Base interactions energy: -68.428 where: short stacking energy: -35.614 Base-Backbone interact. energy: -1.070 local terms energy: -40.061625 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -8.726 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -7.945 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: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -109.154427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.154427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.154427 (E_RNA) where: Base-Base interactions energy: -76.195 where: short stacking energy: -34.662 Base-Backbone interact. energy: -0.322 local terms energy: -32.637996 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.747 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -6.203 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: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -89.443995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.443995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.443995 (E_RNA) where: Base-Base interactions energy: -63.318 where: short stacking energy: -26.940 Base-Backbone interact. energy: -0.049 local terms energy: -26.077127 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -4.150 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -1.134 tors. eta vs tors. theta energy: -6.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -100.710546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.710546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.710546 (E_RNA) where: Base-Base interactions energy: -66.412 where: short stacking energy: -35.882 Base-Backbone interact. energy: -0.900 local terms energy: -33.397795 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -6.808 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: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -99.889263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.889263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.889263 (E_RNA) where: Base-Base interactions energy: -69.346 where: short stacking energy: -34.787 Base-Backbone interact. energy: -0.701 local terms energy: -29.841751 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -6.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -52.639470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.639470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.639470 (E_RNA) where: Base-Base interactions energy: -27.712 where: short stacking energy: -19.066 Base-Backbone interact. energy: -0.138 local terms energy: -24.789357 where: bonds (distance) C4'-P energy: -3.126 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -3.651 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: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -56.163895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.163895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.163895 (E_RNA) where: Base-Base interactions energy: -28.257 where: short stacking energy: -28.257 Base-Backbone interact. energy: -0.007 local terms energy: -27.899882 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -6.034 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -4.500 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: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -57.668855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.668855 (E_RNA) where: Base-Base interactions energy: -27.620 where: short stacking energy: -27.620 Base-Backbone interact. energy: -0.069 local terms energy: -29.979630 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -5.824 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -6.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -109.703315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.703315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.703315 (E_RNA) where: Base-Base interactions energy: -71.609 where: short stacking energy: -36.163 Base-Backbone interact. energy: -2.051 local terms energy: -36.043865 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -7.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -108.964240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.964240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.964240 (E_RNA) where: Base-Base interactions energy: -73.271 where: short stacking energy: -36.242 Base-Backbone interact. energy: -0.983 local terms energy: -34.710604 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: -6.465 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: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -109.089337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.089337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.089337 (E_RNA) where: Base-Base interactions energy: -75.157 where: short stacking energy: -29.597 Base-Backbone interact. energy: -0.003 local terms energy: -33.929414 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.385 flat angles P-C4'-P energy: -1.375 tors. eta vs tors. theta energy: -6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -104.075698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.075698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.075698 (E_RNA) where: Base-Base interactions energy: -69.120 where: short stacking energy: -32.925 Base-Backbone interact. energy: -1.785 local terms energy: -33.171338 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -5.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -101.990220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.990220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.990220 (E_RNA) where: Base-Base interactions energy: -69.836 where: short stacking energy: -33.540 Base-Backbone interact. energy: -0.003 local terms energy: -32.150766 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -1.680 tors. eta vs tors. theta energy: -6.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -88.204865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.204865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.204865 (E_RNA) where: Base-Base interactions energy: -59.237 where: short stacking energy: -29.108 Base-Backbone interact. energy: 1.427 local terms energy: -30.394520 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -1.664 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: 8 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -91.517163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.517163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.517163 (E_RNA) where: Base-Base interactions energy: -59.554 where: short stacking energy: -29.928 Base-Backbone interact. energy: -0.056 local terms energy: -31.906260 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -76.106268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.106268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.106268 (E_RNA) where: Base-Base interactions energy: -57.219 where: short stacking energy: -25.516 Base-Backbone interact. energy: -0.001 local terms energy: -18.885611 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -2.578 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: 0.296 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: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -54.696848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.696848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.696848 (E_RNA) where: Base-Base interactions energy: -26.487 where: short stacking energy: -12.895 Base-Backbone interact. energy: -0.134 local terms energy: -28.076233 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -55.846329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.846329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.846329 (E_RNA) where: Base-Base interactions energy: -27.467 where: short stacking energy: -24.353 Base-Backbone interact. energy: -0.091 local terms energy: -28.288138 where: bonds (distance) C4'-P energy: -6.305 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -5.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -111.659550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.659550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.659550 (E_RNA) where: Base-Base interactions energy: -71.828 where: short stacking energy: -35.566 Base-Backbone interact. energy: -1.057 local terms energy: -38.774664 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -6.677 tors. eta vs tors. theta energy: -6.949 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: 3 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -110.534568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.534568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.534568 (E_RNA) where: Base-Base interactions energy: -71.043 where: short stacking energy: -35.786 Base-Backbone interact. energy: -0.625 local terms energy: -38.866866 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -8.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -107.006971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.006971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.006971 (E_RNA) where: Base-Base interactions energy: -72.102 where: short stacking energy: -35.696 Base-Backbone interact. energy: -1.263 local terms energy: -33.642585 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -5.398 flat angles C4'-P-C4' energy: -7.354 flat angles P-C4'-P energy: -6.707 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: 4, replica: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -102.801631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.801631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.801631 (E_RNA) where: Base-Base interactions energy: -68.279 where: short stacking energy: -34.960 Base-Backbone interact. energy: -0.002 local terms energy: -34.520014 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.836 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -4.886 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: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -106.621625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.621625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.621625 (E_RNA) where: Base-Base interactions energy: -69.673 where: short stacking energy: -38.424 Base-Backbone interact. energy: -0.122 local terms energy: -36.827450 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -9.468 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -8.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -96.087645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.087645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.087645 (E_RNA) where: Base-Base interactions energy: -58.603 where: short stacking energy: -26.341 Base-Backbone interact. energy: -1.594 local terms energy: -35.891064 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: -5.483 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -70.019070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.019070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.019070 (E_RNA) where: Base-Base interactions energy: -46.804 where: short stacking energy: -15.113 Base-Backbone interact. energy: -0.042 local terms energy: -23.173257 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -2.434 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: 8, replica: 7 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -58.466084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.466084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.466084 (E_RNA) where: Base-Base interactions energy: -27.000 where: short stacking energy: -27.000 Base-Backbone interact. energy: -0.000 local terms energy: -31.465464 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.870 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -5.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -65.801686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.801686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.801686 (E_RNA) where: Base-Base interactions energy: -36.342 where: short stacking energy: -23.787 Base-Backbone interact. energy: -0.878 local terms energy: -28.581777 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -5.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -53.848094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.848094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.848094 (E_RNA) where: Base-Base interactions energy: -24.786 where: short stacking energy: -24.786 Base-Backbone interact. energy: -0.000 local terms energy: -29.062023 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -5.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -108.304791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.304791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.304791 (E_RNA) where: Base-Base interactions energy: -72.355 where: short stacking energy: -36.128 Base-Backbone interact. energy: -1.733 local terms energy: -34.216041 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -6.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -110.397417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.397417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.397417 (E_RNA) where: Base-Base interactions energy: -73.454 where: short stacking energy: -38.250 Base-Backbone interact. energy: -0.829 local terms energy: -36.114665 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -7.631 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -7.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -104.232298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.232298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.232298 (E_RNA) where: Base-Base interactions energy: -72.346 where: short stacking energy: -29.044 Base-Backbone interact. energy: -0.005 local terms energy: -31.881408 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -0.725 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -104.788435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.788435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.788435 (E_RNA) where: Base-Base interactions energy: -73.511 where: short stacking energy: -37.077 Base-Backbone interact. energy: -0.008 local terms energy: -31.269367 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -104.296150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.296150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.296150 (E_RNA) where: Base-Base interactions energy: -79.909 where: short stacking energy: -38.653 Base-Backbone interact. energy: -0.025 local terms energy: -24.361376 where: bonds (distance) C4'-P energy: -2.437 bonds (distance) P-C4' energy: -7.192 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -1.164 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: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -96.914437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.914437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.914437 (E_RNA) where: Base-Base interactions energy: -61.915 where: short stacking energy: -34.203 Base-Backbone interact. energy: -0.162 local terms energy: -34.837007 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -5.282 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: 7, replica: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -68.415273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.415273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.415273 (E_RNA) where: Base-Base interactions energy: -28.741 where: short stacking energy: -28.741 Base-Backbone interact. energy: -0.000 local terms energy: -39.673988 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -6.752 tors. eta vs tors. theta energy: -7.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -53.124917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.124917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.124917 (E_RNA) where: Base-Base interactions energy: -24.126 where: short stacking energy: -20.962 Base-Backbone interact. energy: -0.012 local terms energy: -28.986797 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -3.779 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: 1 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -52.473840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.473840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.473840 (E_RNA) where: Base-Base interactions energy: -21.892 where: short stacking energy: -21.892 Base-Backbone interact. energy: -0.002 local terms energy: -30.579887 where: bonds (distance) C4'-P energy: -7.605 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -5.689 flat angles P-C4'-P energy: -4.352 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: 10, replica: 5 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -49.903180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.903180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.903180 (E_RNA) where: Base-Base interactions energy: -21.684 where: short stacking energy: -21.684 Base-Backbone interact. energy: -0.062 local terms energy: -28.157672 where: bonds (distance) C4'-P energy: -2.992 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -4.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -111.155668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.155668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.155668 (E_RNA) where: Base-Base interactions energy: -79.952 where: short stacking energy: -31.894 Base-Backbone interact. energy: -0.158 local terms energy: -31.045927 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -8.126 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -1.200 tors. eta vs tors. theta energy: -7.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -101.642672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.642672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.642672 (E_RNA) where: Base-Base interactions energy: -69.262 where: short stacking energy: -30.145 Base-Backbone interact. energy: -0.013 local terms energy: -32.367765 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: 0.374 tors. eta vs tors. theta energy: -7.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -107.357032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.357032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.357032 (E_RNA) where: Base-Base interactions energy: -68.769 where: short stacking energy: -34.452 Base-Backbone interact. energy: -0.315 local terms energy: -38.272433 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -6.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -108.657668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.657668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.657668 (E_RNA) where: Base-Base interactions energy: -71.650 where: short stacking energy: -35.882 Base-Backbone interact. energy: -0.852 local terms energy: -36.156199 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -6.273 tors. eta vs tors. theta energy: -7.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -101.830233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.830233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.830233 (E_RNA) where: Base-Base interactions energy: -66.828 where: short stacking energy: -34.101 Base-Backbone interact. energy: -0.020 local terms energy: -34.981361 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -103.574704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.574704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.574704 (E_RNA) where: Base-Base interactions energy: -69.000 where: short stacking energy: -33.816 Base-Backbone interact. energy: -0.756 local terms energy: -33.818556 where: bonds (distance) C4'-P energy: -2.598 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -75.019782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.019782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.019782 (E_RNA) where: Base-Base interactions energy: -41.591 where: short stacking energy: -31.701 Base-Backbone interact. energy: -0.000 local terms energy: -33.428765 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -8.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -51.662035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.662035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.662035 (E_RNA) where: Base-Base interactions energy: -22.226 where: short stacking energy: -13.466 Base-Backbone interact. energy: -0.117 local terms energy: -29.319043 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -4.531 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: 9, replica: 8 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -49.506654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.506654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.506654 (E_RNA) where: Base-Base interactions energy: -26.435 where: short stacking energy: -21.319 Base-Backbone interact. energy: -0.000 local terms energy: -23.071919 where: bonds (distance) C4'-P energy: -2.783 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -1.955 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -58.273361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.273361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.273361 (E_RNA) where: Base-Base interactions energy: -30.030 where: short stacking energy: -30.030 Base-Backbone interact. energy: -0.000 local terms energy: -28.243754 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -5.495 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -8.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -96.843847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.843847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.843847 (E_RNA) where: Base-Base interactions energy: -63.783 where: short stacking energy: -31.281 Base-Backbone interact. energy: -0.001 local terms energy: -33.059670 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.346 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -107.110720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.110720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.110720 (E_RNA) where: Base-Base interactions energy: -69.730 where: short stacking energy: -33.779 Base-Backbone interact. energy: -0.506 local terms energy: -36.875153 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.260 flat angles P-C4'-P energy: -6.567 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: 3, replica: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -102.550915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.550915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.550915 (E_RNA) where: Base-Base interactions energy: -68.757 where: short stacking energy: -35.218 Base-Backbone interact. energy: -0.683 local terms energy: -33.110900 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -7.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -104.264996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.264996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.264996 (E_RNA) where: Base-Base interactions energy: -65.934 where: short stacking energy: -35.283 Base-Backbone interact. energy: -0.444 local terms energy: -37.886829 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -96.599824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.599824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.599824 (E_RNA) where: Base-Base interactions energy: -60.114 where: short stacking energy: -26.503 Base-Backbone interact. energy: -0.610 local terms energy: -35.875812 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.971 flat angles P-C4'-P energy: -6.701 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: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -100.115395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.115395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.115395 (E_RNA) where: Base-Base interactions energy: -64.493 where: short stacking energy: -32.859 Base-Backbone interact. energy: -0.480 local terms energy: -35.142724 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -9.215 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -8.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -66.968292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.968292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.968292 (E_RNA) where: Base-Base interactions energy: -35.997 where: short stacking energy: -22.101 Base-Backbone interact. energy: -0.007 local terms energy: -30.963907 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: 0.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -57.799058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.799058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.799058 (E_RNA) where: Base-Base interactions energy: -26.867 where: short stacking energy: -26.867 Base-Backbone interact. energy: -0.017 local terms energy: -30.915207 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.029 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -53.738488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.738488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.738488 (E_RNA) where: Base-Base interactions energy: -23.687 where: short stacking energy: -22.781 Base-Backbone interact. energy: -0.101 local terms energy: -29.950199 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -3.433 flat angles P-C4'-P energy: -6.197 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -55.660876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.660876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.660876 (E_RNA) where: Base-Base interactions energy: -26.359 where: short stacking energy: -14.547 Base-Backbone interact. energy: -0.911 local terms energy: -28.391147 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -105.759432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.759432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.759432 (E_RNA) where: Base-Base interactions energy: -66.691 where: short stacking energy: -36.266 Base-Backbone interact. energy: -0.018 local terms energy: -39.050842 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.607 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -7.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -104.994417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.994417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.994417 (E_RNA) where: Base-Base interactions energy: -74.126 where: short stacking energy: -32.313 Base-Backbone interact. energy: -0.458 local terms energy: -30.410650 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -2.458 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -6.842 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: 10 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -108.345095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.345095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.345095 (E_RNA) where: Base-Base interactions energy: -70.552 where: short stacking energy: -35.215 Base-Backbone interact. energy: -0.813 local terms energy: -36.979949 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -7.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -100.748534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.748534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.748534 (E_RNA) where: Base-Base interactions energy: -70.508 where: short stacking energy: -29.573 Base-Backbone interact. energy: -0.596 local terms energy: -29.645181 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -5.337 flat angles C4'-P-C4' energy: -4.058 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -6.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -98.106298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.106298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.106298 (E_RNA) where: Base-Base interactions energy: -67.769 where: short stacking energy: -29.892 Base-Backbone interact. energy: -0.015 local terms energy: -30.322280 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.318 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -4.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -96.161358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.161358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.161358 (E_RNA) where: Base-Base interactions energy: -66.185 where: short stacking energy: -33.582 Base-Backbone interact. energy: -0.066 local terms energy: -29.910372 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -5.197 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: 7, replica: 7 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -67.885799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.885799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.885799 (E_RNA) where: Base-Base interactions energy: -37.062 where: short stacking energy: -18.783 Base-Backbone interact. energy: -0.752 local terms energy: -30.071984 where: bonds (distance) C4'-P energy: -5.646 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -3.192 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: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -52.937660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.937660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.937660 (E_RNA) where: Base-Base interactions energy: -28.323 where: short stacking energy: -28.323 Base-Backbone interact. energy: -0.067 local terms energy: -24.546903 where: bonds (distance) C4'-P energy: -2.797 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -6.680 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: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -59.514607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.514607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.514607 (E_RNA) where: Base-Base interactions energy: -30.699 where: short stacking energy: -30.699 Base-Backbone interact. energy: -0.000 local terms energy: -28.815964 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.460 flat angles P-C4'-P energy: -2.669 tors. eta vs tors. theta energy: -5.370 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: 369 Temperature: 1.350000 Total energy: -49.029385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.029385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.029385 (E_RNA) where: Base-Base interactions energy: -22.236 where: short stacking energy: -22.236 Base-Backbone interact. energy: -0.040 local terms energy: -26.753632 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -1.114 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: 1, replica: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -109.462207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.462207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.462207 (E_RNA) where: Base-Base interactions energy: -73.015 where: short stacking energy: -37.444 Base-Backbone interact. energy: -0.492 local terms energy: -35.954912 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -4.857 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: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -102.908053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.908053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.908053 (E_RNA) where: Base-Base interactions energy: -66.090 where: short stacking energy: -33.174 Base-Backbone interact. energy: -0.665 local terms energy: -36.153417 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -9.064 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -5.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -101.683557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.683557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.683557 (E_RNA) where: Base-Base interactions energy: -68.492 where: short stacking energy: -33.499 Base-Backbone interact. energy: -0.471 local terms energy: -32.720509 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -3.088 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: 4, replica: 10 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -105.634405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.634405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.634405 (E_RNA) where: Base-Base interactions energy: -69.240 where: short stacking energy: -33.517 Base-Backbone interact. energy: -1.254 local terms energy: -35.140659 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -6.898 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -7.983 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: 6 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -95.290708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.290708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.290708 (E_RNA) where: Base-Base interactions energy: -65.245 where: short stacking energy: -31.183 Base-Backbone interact. energy: -0.070 local terms energy: -29.975149 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -8.205 flat angles P-C4'-P energy: -1.078 tors. eta vs tors. theta energy: -7.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -93.959453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.959453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.959453 (E_RNA) where: Base-Base interactions energy: -67.118 where: short stacking energy: -26.723 Base-Backbone interact. energy: -0.002 local terms energy: -26.839907 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -1.762 tors. eta vs tors. theta energy: -4.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -69.646720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.646720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.646720 (E_RNA) where: Base-Base interactions energy: -39.971 where: short stacking energy: -26.324 Base-Backbone interact. energy: -0.110 local terms energy: -29.565575 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -2.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -60.638057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.638057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.638057 (E_RNA) where: Base-Base interactions energy: -36.108 where: short stacking energy: -13.603 Base-Backbone interact. energy: -0.007 local terms energy: -24.523249 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -2.829 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: 9, replica: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -42.068567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.068567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.068567 (E_RNA) where: Base-Base interactions energy: -15.330 where: short stacking energy: -11.122 Base-Backbone interact. energy: -0.007 local terms energy: -26.731374 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -8.470 flat angles P-C4'-P energy: -1.131 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: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -55.889931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.889931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.889931 (E_RNA) where: Base-Base interactions energy: -28.060 where: short stacking energy: -28.060 Base-Backbone interact. energy: -0.052 local terms energy: -27.777144 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -1.860 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -6.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -110.751753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.751753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.751753 (E_RNA) where: Base-Base interactions energy: -74.974 where: short stacking energy: -36.160 Base-Backbone interact. energy: 0.671 local terms energy: -36.449153 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.622 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -7.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -99.984757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.984757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.984757 (E_RNA) where: Base-Base interactions energy: -73.615 where: short stacking energy: -29.168 Base-Backbone interact. energy: -0.071 local terms energy: -26.298568 where: bonds (distance) C4'-P energy: -4.786 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.816 flat angles P-C4'-P energy: 0.011 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: 3, replica: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -104.751024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.751024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.751024 (E_RNA) where: Base-Base interactions energy: -68.400 where: short stacking energy: -33.663 Base-Backbone interact. energy: -1.831 local terms energy: -34.519917 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -6.691 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: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -104.795534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.795534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.795534 (E_RNA) where: Base-Base interactions energy: -70.845 where: short stacking energy: -35.266 Base-Backbone interact. energy: 0.171 local terms energy: -34.120768 where: bonds (distance) C4'-P energy: -4.326 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -9.390 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: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -101.669119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.669119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.669119 (E_RNA) where: Base-Base interactions energy: -64.076 where: short stacking energy: -30.737 Base-Backbone interact. energy: -0.467 local terms energy: -37.126016 where: bonds (distance) C4'-P energy: -6.865 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -8.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -70.943734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.943734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.943734 (E_RNA) where: Base-Base interactions energy: -44.627 where: short stacking energy: -19.675 Base-Backbone interact. energy: -0.128 local terms energy: -26.189552 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -3.390 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -93.102072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.102072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.102072 (E_RNA) where: Base-Base interactions energy: -58.317 where: short stacking energy: -30.424 Base-Backbone interact. energy: -0.013 local terms energy: -34.772404 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -5.870 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: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -59.926021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.926021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.926021 (E_RNA) where: Base-Base interactions energy: -27.152 where: short stacking energy: -27.152 Base-Backbone interact. energy: -0.021 local terms energy: -32.752971 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -63.699577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.699577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.699577 (E_RNA) where: Base-Base interactions energy: -40.618 where: short stacking energy: -22.571 Base-Backbone interact. energy: -0.092 local terms energy: -22.988881 where: bonds (distance) C4'-P energy: -2.136 bonds (distance) P-C4' energy: -7.473 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -54.569126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.569126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.569126 (E_RNA) where: Base-Base interactions energy: -23.485 where: short stacking energy: -15.983 Base-Backbone interact. energy: -0.001 local terms energy: -31.083372 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -109.781965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.781965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.781965 (E_RNA) where: Base-Base interactions energy: -71.744 where: short stacking energy: -35.999 Base-Backbone interact. energy: -1.275 local terms energy: -36.763008 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -8.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -93.547187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.547187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.547187 (E_RNA) where: Base-Base interactions energy: -60.497 where: short stacking energy: -25.505 Base-Backbone interact. energy: -0.022 local terms energy: -33.027903 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -5.874 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: 3, replica: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -105.755293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.755293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.755293 (E_RNA) where: Base-Base interactions energy: -76.528 where: short stacking energy: -30.668 Base-Backbone interact. energy: -0.260 local terms energy: -28.967467 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -0.582 tors. eta vs tors. theta energy: -7.694 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: 372 Temperature: 1.050000 Total energy: -106.374660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.374660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.374660 (E_RNA) where: Base-Base interactions energy: -69.283 where: short stacking energy: -34.547 Base-Backbone interact. energy: -0.678 local terms energy: -36.414134 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -8.225 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: 10 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -104.286707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.286707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.286707 (E_RNA) where: Base-Base interactions energy: -66.624 where: short stacking energy: -33.312 Base-Backbone interact. energy: -1.577 local terms energy: -36.085869 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -8.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -73.504723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.504723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.504723 (E_RNA) where: Base-Base interactions energy: -40.966 where: short stacking energy: -29.428 Base-Backbone interact. energy: -0.237 local terms energy: -32.301372 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.107 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -4.850 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: 7, replica: 9 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -97.447810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.447810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.447810 (E_RNA) where: Base-Base interactions energy: -65.745 where: short stacking energy: -32.126 Base-Backbone interact. energy: -0.002 local terms energy: -31.700496 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.860 flat angles P-C4'-P energy: -3.511 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: 8, replica: 5 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -46.184165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.184165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.184165 (E_RNA) where: Base-Base interactions energy: -20.698 where: short stacking energy: -20.698 Base-Backbone interact. energy: 0.429 local terms energy: -25.915514 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -2.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -49.820857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.820857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.820857 (E_RNA) where: Base-Base interactions energy: -23.567 where: short stacking energy: -23.567 Base-Backbone interact. energy: -0.002 local terms energy: -26.251571 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -4.977 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.468 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: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -45.595766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.595766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.595766 (E_RNA) where: Base-Base interactions energy: -21.209 where: short stacking energy: -15.866 Base-Backbone interact. energy: -0.118 local terms energy: -24.268020 where: bonds (distance) C4'-P energy: -4.326 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -5.954 tors. eta vs tors. theta energy: 0.117 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: 4 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -111.506586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.506586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.506586 (E_RNA) where: Base-Base interactions energy: -71.266 where: short stacking energy: -36.891 Base-Backbone interact. energy: -1.928 local terms energy: -38.312353 where: bonds (distance) C4'-P energy: -8.512 bonds (distance) P-C4' energy: -9.108 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -7.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -100.590400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.590400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.590400 (E_RNA) where: Base-Base interactions energy: -66.675 where: short stacking energy: -31.028 Base-Backbone interact. energy: -0.262 local terms energy: -33.653457 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.824 flat angles C4'-P-C4' energy: -7.015 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -97.895312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.895312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.895312 (E_RNA) where: Base-Base interactions energy: -63.309 where: short stacking energy: -27.324 Base-Backbone interact. energy: -1.696 local terms energy: -32.890293 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -5.413 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: 4, replica: 10 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -109.443370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.443370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.443370 (E_RNA) where: Base-Base interactions energy: -72.622 where: short stacking energy: -36.853 Base-Backbone interact. energy: -1.432 local terms energy: -35.389835 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: -8.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -99.908555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.908555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.908555 (E_RNA) where: Base-Base interactions energy: -68.075 where: short stacking energy: -34.956 Base-Backbone interact. energy: -0.684 local terms energy: -31.149096 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -4.757 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -4.277 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: 6, replica: 9 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -54.452654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.452654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.452654 (E_RNA) where: Base-Base interactions energy: -26.818 where: short stacking energy: -26.818 Base-Backbone interact. energy: -0.016 local terms energy: -27.618326 where: bonds (distance) C4'-P energy: -5.455 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -5.204 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: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -66.900079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.900079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.900079 (E_RNA) where: Base-Base interactions energy: -37.699 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.030 local terms energy: -29.171236 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -2.205 tors. eta vs tors. theta energy: -2.913 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: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -60.890518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.890518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.890518 (E_RNA) where: Base-Base interactions energy: -27.778 where: short stacking energy: -19.351 Base-Backbone interact. energy: -0.011 local terms energy: -33.101482 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -67.930412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.930412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.930412 (E_RNA) where: Base-Base interactions energy: -44.955 where: short stacking energy: -12.030 Base-Backbone interact. energy: -0.149 local terms energy: -22.826194 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -1.617 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -45.263568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.263568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.263568 (E_RNA) where: Base-Base interactions energy: -22.999 where: short stacking energy: -14.219 Base-Backbone interact. energy: -1.166 local terms energy: -21.098750 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -1.855 tors. eta vs tors. theta energy: 1.063 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: 374 Temperature: 0.900000 Total energy: -113.089887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.089887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.089887 (E_RNA) where: Base-Base interactions energy: -72.740 where: short stacking energy: -34.568 Base-Backbone interact. energy: -0.687 local terms energy: -39.661975 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -8.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -106.092946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.092946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.092946 (E_RNA) where: Base-Base interactions energy: -70.981 where: short stacking energy: -35.399 Base-Backbone interact. energy: 0.023 local terms energy: -35.134818 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.493 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -5.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -105.884598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.884598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.884598 (E_RNA) where: Base-Base interactions energy: -68.638 where: short stacking energy: -30.980 Base-Backbone interact. energy: -1.317 local terms energy: -35.929688 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.895 flat angles P-C4'-P energy: -7.066 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: 4, replica: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -106.586762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.586762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.586762 (E_RNA) where: Base-Base interactions energy: -72.826 where: short stacking energy: -34.584 Base-Backbone interact. energy: -0.539 local terms energy: -33.221820 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -7.869 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: 2 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -101.309908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.309908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.309908 (E_RNA) where: Base-Base interactions energy: -71.689 where: short stacking energy: -35.011 Base-Backbone interact. energy: -0.879 local terms energy: -28.741639 where: bonds (distance) C4'-P energy: -4.793 bonds (distance) P-C4' energy: -6.744 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -3.462 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: 6, replica: 9 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -59.732913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.732913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.732913 (E_RNA) where: Base-Base interactions energy: -33.442 where: short stacking energy: -33.442 Base-Backbone interact. energy: -0.101 local terms energy: -26.189922 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -2.959 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -80.796219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.796219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.796219 (E_RNA) where: Base-Base interactions energy: -53.067 where: short stacking energy: -22.605 Base-Backbone interact. energy: 0.189 local terms energy: -27.918003 where: bonds (distance) C4'-P energy: -5.331 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -5.243 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: 8, replica: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -54.437877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.437877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.437877 (E_RNA) where: Base-Base interactions energy: -27.447 where: short stacking energy: -17.215 Base-Backbone interact. energy: -0.099 local terms energy: -26.892045 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -1.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -46.182440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.182440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.182440 (E_RNA) where: Base-Base interactions energy: -18.846 where: short stacking energy: -18.846 Base-Backbone interact. energy: -0.033 local terms energy: -27.303788 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -3.478 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: -2.324 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: 5 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -43.043159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.043159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.043159 (E_RNA) where: Base-Base interactions energy: -20.001 where: short stacking energy: -18.747 Base-Backbone interact. energy: -0.006 local terms energy: -23.036427 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -1.591 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: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -111.142673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.142673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.142673 (E_RNA) where: Base-Base interactions energy: -71.168 where: short stacking energy: -35.582 Base-Backbone interact. energy: -1.169 local terms energy: -38.805835 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -7.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -111.179298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.179298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.179298 (E_RNA) where: Base-Base interactions energy: -72.285 where: short stacking energy: -35.408 Base-Backbone interact. energy: -1.819 local terms energy: -37.075577 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -7.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -104.993036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.993036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.993036 (E_RNA) where: Base-Base interactions energy: -69.214 where: short stacking energy: -35.801 Base-Backbone interact. energy: -0.766 local terms energy: -35.012646 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -106.281662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.281662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.281662 (E_RNA) where: Base-Base interactions energy: -71.972 where: short stacking energy: -37.786 Base-Backbone interact. energy: -0.000 local terms energy: -34.309146 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -7.306 tors. eta vs tors. theta energy: -9.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -106.790575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.790575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.790575 (E_RNA) where: Base-Base interactions energy: -81.853 where: short stacking energy: -32.562 Base-Backbone interact. energy: -0.052 local terms energy: -24.885784 where: bonds (distance) C4'-P energy: -4.372 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -1.933 tors. eta vs tors. theta energy: -6.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -87.472173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.472173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.472173 (E_RNA) where: Base-Base interactions energy: -57.670 where: short stacking energy: -28.566 Base-Backbone interact. energy: 0.997 local terms energy: -30.799334 where: bonds (distance) C4'-P energy: -4.793 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.297 flat angles P-C4'-P energy: -2.422 tors. eta vs tors. theta energy: -6.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -55.663612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.663612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.663612 (E_RNA) where: Base-Base interactions energy: -27.771 where: short stacking energy: -26.051 Base-Backbone interact. energy: -0.059 local terms energy: -27.833705 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -6.446 flat angles C4'-P-C4' energy: -7.189 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -55.267725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.267725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.267725 (E_RNA) where: Base-Base interactions energy: -23.978 where: short stacking energy: -23.298 Base-Backbone interact. energy: 0.180 local terms energy: -31.470040 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -4.847 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: 1 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -47.846623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.846623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.846623 (E_RNA) where: Base-Base interactions energy: -17.678 where: short stacking energy: -17.678 Base-Backbone interact. energy: -0.092 local terms energy: -30.077129 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -50.368380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.368380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.368380 (E_RNA) where: Base-Base interactions energy: -22.842 where: short stacking energy: -22.842 Base-Backbone interact. energy: -0.160 local terms energy: -27.366361 where: bonds (distance) C4'-P energy: -4.579 bonds (distance) P-C4' energy: -6.583 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -109.929584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.929584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.929584 (E_RNA) where: Base-Base interactions energy: -71.397 where: short stacking energy: -35.181 Base-Backbone interact. energy: -2.050 local terms energy: -36.481817 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -6.149 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: 2, replica: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -106.518680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.518680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.518680 (E_RNA) where: Base-Base interactions energy: -69.456 where: short stacking energy: -37.448 Base-Backbone interact. energy: -0.167 local terms energy: -36.895999 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -6.216 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: 3, replica: 2 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -106.348179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.348179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.348179 (E_RNA) where: Base-Base interactions energy: -70.414 where: short stacking energy: -35.340 Base-Backbone interact. energy: -0.660 local terms energy: -35.274025 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -6.391 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: 4 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -105.644089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.644089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.644089 (E_RNA) where: Base-Base interactions energy: -71.602 where: short stacking energy: -35.776 Base-Backbone interact. energy: -0.222 local terms energy: -33.819553 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.260 flat angles C4'-P-C4' energy: -7.333 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -103.146574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.146574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.146574 (E_RNA) where: Base-Base interactions energy: -67.725 where: short stacking energy: -34.614 Base-Backbone interact. energy: -0.032 local terms energy: -35.389317 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -7.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -92.144025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.144025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.144025 (E_RNA) where: Base-Base interactions energy: -63.074 where: short stacking energy: -29.546 Base-Backbone interact. energy: 0.581 local terms energy: -29.650535 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -66.835989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.835989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.835989 (E_RNA) where: Base-Base interactions energy: -36.823 where: short stacking energy: -36.823 Base-Backbone interact. energy: -0.007 local terms energy: -30.006190 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -8.290 flat angles C4'-P-C4' energy: -8.680 flat angles P-C4'-P energy: -2.649 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: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -57.349116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.349116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.349116 (E_RNA) where: Base-Base interactions energy: -26.693 where: short stacking energy: -20.436 Base-Backbone interact. energy: -0.103 local terms energy: -30.552631 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -42.370491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.370491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.370491 (E_RNA) where: Base-Base interactions energy: -17.248 where: short stacking energy: -17.248 Base-Backbone interact. energy: -0.090 local terms energy: -25.031981 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -4.461 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -50.664948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.664948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.664948 (E_RNA) where: Base-Base interactions energy: -25.946 where: short stacking energy: -20.788 Base-Backbone interact. energy: -0.109 local terms energy: -24.609509 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -2.906 flat angles P-C4'-P energy: -6.124 tors. eta vs tors. theta energy: -0.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -106.477685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.477685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.477685 (E_RNA) where: Base-Base interactions energy: -70.884 where: short stacking energy: -35.731 Base-Backbone interact. energy: -0.527 local terms energy: -35.067026 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -9.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -100.098300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.098300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.098300 (E_RNA) where: Base-Base interactions energy: -67.168 where: short stacking energy: -32.391 Base-Backbone interact. energy: -0.124 local terms energy: -32.805728 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -6.496 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: 3, replica: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -108.994474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.994474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.994474 (E_RNA) where: Base-Base interactions energy: -72.241 where: short stacking energy: -35.459 Base-Backbone interact. energy: -0.240 local terms energy: -36.513784 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -4.459 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: 4, replica: 4 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -108.283754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.283754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.283754 (E_RNA) where: Base-Base interactions energy: -70.920 where: short stacking energy: -34.660 Base-Backbone interact. energy: -0.282 local terms energy: -37.081548 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -103.936260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.936260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.936260 (E_RNA) where: Base-Base interactions energy: -71.126 where: short stacking energy: -37.587 Base-Backbone interact. energy: -0.024 local terms energy: -32.785710 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -6.408 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: 8 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -106.385832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.385832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.385832 (E_RNA) where: Base-Base interactions energy: -73.684 where: short stacking energy: -36.667 Base-Backbone interact. energy: -0.001 local terms energy: -32.701216 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -58.945466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.945466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.945466 (E_RNA) where: Base-Base interactions energy: -26.990 where: short stacking energy: -26.990 Base-Backbone interact. energy: -0.028 local terms energy: -31.926576 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -8.975 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -4.523 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: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -50.996628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.996628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.996628 (E_RNA) where: Base-Base interactions energy: -25.962 where: short stacking energy: -25.962 Base-Backbone interact. energy: -0.043 local terms energy: -24.991395 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -2.294 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: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -48.210356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.210356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.210356 (E_RNA) where: Base-Base interactions energy: -25.913 where: short stacking energy: -15.646 Base-Backbone interact. energy: -0.020 local terms energy: -22.277937 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -1.352 tors. eta vs tors. theta energy: 2.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -52.336277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.336277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.336277 (E_RNA) where: Base-Base interactions energy: -20.169 where: short stacking energy: -20.169 Base-Backbone interact. energy: -0.002 local terms energy: -32.165191 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -6.696 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: 1, replica: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -107.530788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.530788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.530788 (E_RNA) where: Base-Base interactions energy: -69.795 where: short stacking energy: -34.295 Base-Backbone interact. energy: -0.015 local terms energy: -37.720901 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -6.276 tors. eta vs tors. theta energy: -7.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -108.962646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.962646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.962646 (E_RNA) where: Base-Base interactions energy: -73.823 where: short stacking energy: -36.341 Base-Backbone interact. energy: -1.179 local terms energy: -33.960446 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -5.206 tors. eta vs tors. theta energy: -7.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -102.276686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.276686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.276686 (E_RNA) where: Base-Base interactions energy: -69.912 where: short stacking energy: -34.743 Base-Backbone interact. energy: -0.012 local terms energy: -32.352325 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -5.820 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: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -107.280815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.280815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.280815 (E_RNA) where: Base-Base interactions energy: -74.879 where: short stacking energy: -37.310 Base-Backbone interact. energy: -0.037 local terms energy: -32.364934 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -7.652 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -3.124 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: 5, replica: 8 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -94.215503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.215503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.215503 (E_RNA) where: Base-Base interactions energy: -61.437 where: short stacking energy: -22.832 Base-Backbone interact. energy: -0.129 local terms energy: -32.649272 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -9.205 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -98.324778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.324778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.324778 (E_RNA) where: Base-Base interactions energy: -64.305 where: short stacking energy: -30.738 Base-Backbone interact. energy: -0.004 local terms energy: -34.015595 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -8.600 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -5.862 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: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -61.784140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.784140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.784140 (E_RNA) where: Base-Base interactions energy: -28.354 where: short stacking energy: -27.400 Base-Backbone interact. energy: -0.000 local terms energy: -33.429933 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -5.354 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: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -53.197131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.197131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.197131 (E_RNA) where: Base-Base interactions energy: -20.306 where: short stacking energy: -20.306 Base-Backbone interact. energy: -0.038 local terms energy: -32.853620 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.712 flat angles P-C4'-P energy: -5.035 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: 9, replica: 1 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -58.053089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.053089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.053089 (E_RNA) where: Base-Base interactions energy: -25.077 where: short stacking energy: -25.077 Base-Backbone interact. energy: -0.000 local terms energy: -32.975513 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.664 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -6.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -51.633746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.633746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.633746 (E_RNA) where: Base-Base interactions energy: -26.872 where: short stacking energy: -24.014 Base-Backbone interact. energy: 0.676 local terms energy: -25.437849 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -110.817675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.817675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.817675 (E_RNA) where: Base-Base interactions energy: -71.903 where: short stacking energy: -35.414 Base-Backbone interact. energy: -1.508 local terms energy: -37.406646 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -9.326 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -6.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -109.137030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.137030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.137030 (E_RNA) where: Base-Base interactions energy: -72.710 where: short stacking energy: -37.725 Base-Backbone interact. energy: -1.420 local terms energy: -35.007153 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -7.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -112.868673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.868673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.868673 (E_RNA) where: Base-Base interactions energy: -72.712 where: short stacking energy: -36.194 Base-Backbone interact. energy: -0.507 local terms energy: -39.649601 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.281 flat angles C4'-P-C4' energy: -8.904 flat angles P-C4'-P energy: -6.901 tors. eta vs tors. theta energy: -8.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -106.827225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.827225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.827225 (E_RNA) where: Base-Base interactions energy: -69.820 where: short stacking energy: -32.075 Base-Backbone interact. energy: 0.265 local terms energy: -37.272415 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.055 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -103.358499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.358499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.358499 (E_RNA) where: Base-Base interactions energy: -72.609 where: short stacking energy: -36.009 Base-Backbone interact. energy: -0.531 local terms energy: -30.218538 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -4.888 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: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -69.360309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.360309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.360309 (E_RNA) where: Base-Base interactions energy: -43.840 where: short stacking energy: -28.699 Base-Backbone interact. energy: -0.012 local terms energy: -25.508713 where: bonds (distance) C4'-P energy: -4.185 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -100.092913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.092913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.092913 (E_RNA) where: Base-Base interactions energy: -67.402 where: short stacking energy: -30.965 Base-Backbone interact. energy: -1.347 local terms energy: -31.344230 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -6.205 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -8.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -60.178549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.178549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.178549 (E_RNA) where: Base-Base interactions energy: -29.682 where: short stacking energy: -29.682 Base-Backbone interact. energy: -0.005 local terms energy: -30.491675 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -5.939 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: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -64.821408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.821408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.821408 (E_RNA) where: Base-Base interactions energy: -33.114 where: short stacking energy: -23.024 Base-Backbone interact. energy: -0.006 local terms energy: -31.701658 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -3.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -58.180154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.180154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.180154 (E_RNA) where: Base-Base interactions energy: -30.018 where: short stacking energy: -21.194 Base-Backbone interact. energy: -0.051 local terms energy: -28.111467 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -3.444 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: 1, replica: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -114.218870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.218870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.218870 (E_RNA) where: Base-Base interactions energy: -71.933 where: short stacking energy: -36.191 Base-Backbone interact. energy: -1.438 local terms energy: -40.847825 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -5.693 tors. eta vs tors. theta energy: -9.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -111.589764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.589764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.589764 (E_RNA) where: Base-Base interactions energy: -72.759 where: short stacking energy: -37.805 Base-Backbone interact. energy: -1.628 local terms energy: -37.203118 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -7.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -107.166581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.166581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.166581 (E_RNA) where: Base-Base interactions energy: -70.474 where: short stacking energy: -34.299 Base-Backbone interact. energy: 0.484 local terms energy: -37.176155 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -7.424 tors. eta vs tors. theta energy: -7.473 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: 4, replica: 10 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -105.950479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.950479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.950479 (E_RNA) where: Base-Base interactions energy: -68.940 where: short stacking energy: -33.879 Base-Backbone interact. energy: -0.008 local terms energy: -37.002344 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -8.930 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -104.346251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.346251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.346251 (E_RNA) where: Base-Base interactions energy: -74.931 where: short stacking energy: -30.333 Base-Backbone interact. energy: -0.011 local terms energy: -29.403785 where: bonds (distance) C4'-P energy: -5.489 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -3.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -55.160427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.160427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.160427 (E_RNA) where: Base-Base interactions energy: -25.916 where: short stacking energy: -25.916 Base-Backbone interact. energy: -0.000 local terms energy: -29.244279 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -92.929202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.929202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.929202 (E_RNA) where: Base-Base interactions energy: -57.564 where: short stacking energy: -28.279 Base-Backbone interact. energy: -1.470 local terms energy: -33.895019 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -57.756379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.756379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.756379 (E_RNA) where: Base-Base interactions energy: -33.331 where: short stacking energy: -27.765 Base-Backbone interact. energy: 0.772 local terms energy: -25.197546 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -3.864 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -57.511970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.511970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.511970 (E_RNA) where: Base-Base interactions energy: -27.857 where: short stacking energy: -22.545 Base-Backbone interact. energy: -0.067 local terms energy: -29.588148 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -48.115961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.115961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.115961 (E_RNA) where: Base-Base interactions energy: -22.611 where: short stacking energy: -9.980 Base-Backbone interact. energy: -0.058 local terms energy: -25.446907 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: 1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -111.242504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.242504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.242504 (E_RNA) where: Base-Base interactions energy: -73.215 where: short stacking energy: -36.507 Base-Backbone interact. energy: -1.436 local terms energy: -36.590860 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -7.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -107.639214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.639214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.639214 (E_RNA) where: Base-Base interactions energy: -72.993 where: short stacking energy: -35.309 Base-Backbone interact. energy: -0.023 local terms energy: -34.623280 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -9.019 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -7.262 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: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -107.444332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.444332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.444332 (E_RNA) where: Base-Base interactions energy: -79.308 where: short stacking energy: -35.733 Base-Backbone interact. energy: -0.002 local terms energy: -28.134777 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -2.723 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: 4, replica: 10 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -100.258930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.258930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.258930 (E_RNA) where: Base-Base interactions energy: -69.388 where: short stacking energy: -35.996 Base-Backbone interact. energy: 0.648 local terms energy: -31.519235 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -4.962 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -6.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -93.637246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.637246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.637246 (E_RNA) where: Base-Base interactions energy: -63.138 where: short stacking energy: -33.256 Base-Backbone interact. energy: -0.137 local terms energy: -30.361843 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -7.066 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -6.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -80.475295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.475295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.475295 (E_RNA) where: Base-Base interactions energy: -47.611 where: short stacking energy: -30.273 Base-Backbone interact. energy: -0.011 local terms energy: -32.853490 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -7.439 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -57.269476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.269476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.269476 (E_RNA) where: Base-Base interactions energy: -29.768 where: short stacking energy: -27.750 Base-Backbone interact. energy: -0.157 local terms energy: -27.344666 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -5.380 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: 9 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -57.513367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.513367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.513367 (E_RNA) where: Base-Base interactions energy: -31.042 where: short stacking energy: -22.719 Base-Backbone interact. energy: 0.008 local terms energy: -26.478512 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -58.184399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.184399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.184399 (E_RNA) where: Base-Base interactions energy: -25.969 where: short stacking energy: -25.969 Base-Backbone interact. energy: -0.110 local terms energy: -32.105356 where: bonds (distance) C4'-P energy: -6.883 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -4.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -54.064540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.064540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.064540 (E_RNA) where: Base-Base interactions energy: -23.964 where: short stacking energy: -23.964 Base-Backbone interact. energy: -0.000 local terms energy: -30.100095 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -6.151 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -6.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -115.507278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.507278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.507278 (E_RNA) where: Base-Base interactions energy: -86.831 where: short stacking energy: -33.854 Base-Backbone interact. energy: -0.009 local terms energy: -28.667551 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -0.770 tors. eta vs tors. theta energy: -5.926 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: 4 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -107.881979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.881979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.881979 (E_RNA) where: Base-Base interactions energy: -69.766 where: short stacking energy: -35.734 Base-Backbone interact. energy: -0.392 local terms energy: -37.724205 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: -7.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -101.448527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.448527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.448527 (E_RNA) where: Base-Base interactions energy: -72.567 where: short stacking energy: -30.331 Base-Backbone interact. energy: -0.249 local terms energy: -28.632711 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: 0.306 tors. eta vs tors. theta energy: -7.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -108.320583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.320583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.320583 (E_RNA) where: Base-Base interactions energy: -74.237 where: short stacking energy: -33.379 Base-Backbone interact. energy: -0.630 local terms energy: -33.453552 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.328 flat angles P-C4'-P energy: -3.944 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: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -98.720422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.720422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.720422 (E_RNA) where: Base-Base interactions energy: -70.821 where: short stacking energy: -24.255 Base-Backbone interact. energy: -0.112 local terms energy: -27.786924 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -0.145 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -75.185589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.185589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.185589 (E_RNA) where: Base-Base interactions energy: -43.449 where: short stacking energy: -15.072 Base-Backbone interact. energy: -1.085 local terms energy: -30.652011 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.328 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -2.484 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: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -58.294441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.294441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.294441 (E_RNA) where: Base-Base interactions energy: -25.598 where: short stacking energy: -25.598 Base-Backbone interact. energy: -0.084 local terms energy: -32.612530 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -5.088 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: 9 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -62.029621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.029621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.029621 (E_RNA) where: Base-Base interactions energy: -47.263 where: short stacking energy: -22.740 Base-Backbone interact. energy: -0.039 local terms energy: -14.727134 where: bonds (distance) C4'-P energy: -3.995 bonds (distance) P-C4' energy: -3.738 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: 2.440 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -63.033675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.033675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.033675 (E_RNA) where: Base-Base interactions energy: -34.395 where: short stacking energy: -27.046 Base-Backbone interact. energy: -0.293 local terms energy: -28.345969 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -5.918 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -4.396 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: 10, replica: 1 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -50.104401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.104401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.104401 (E_RNA) where: Base-Base interactions energy: -21.893 where: short stacking energy: -21.342 Base-Backbone interact. energy: -0.006 local terms energy: -28.205286 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -5.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -117.846745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.846745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.846745 (E_RNA) where: Base-Base interactions energy: -92.166 where: short stacking energy: -36.369 Base-Backbone interact. energy: -0.001 local terms energy: -25.679683 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: 0.542 tors. eta vs tors. theta energy: -6.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -107.918266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.918266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.918266 (E_RNA) where: Base-Base interactions energy: -68.990 where: short stacking energy: -36.587 Base-Backbone interact. energy: -1.072 local terms energy: -37.855768 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -7.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -105.545170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.545170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.545170 (E_RNA) where: Base-Base interactions energy: -66.006 where: short stacking energy: -31.662 Base-Backbone interact. energy: -1.097 local terms energy: -38.442036 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -7.780 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: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -98.148131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.148131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.148131 (E_RNA) where: Base-Base interactions energy: -62.415 where: short stacking energy: -30.458 Base-Backbone interact. energy: -0.662 local terms energy: -35.071201 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -5.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -106.401181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.401181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.401181 (E_RNA) where: Base-Base interactions energy: -70.412 where: short stacking energy: -34.260 Base-Backbone interact. energy: 0.009 local terms energy: -35.998721 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.454 flat angles P-C4'-P energy: -4.448 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: 6, replica: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -61.705117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.705117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.705117 (E_RNA) where: Base-Base interactions energy: -25.240 where: short stacking energy: -25.240 Base-Backbone interact. energy: -0.063 local terms energy: -36.401992 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.717 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -7.250 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: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -56.031380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.031380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.031380 (E_RNA) where: Base-Base interactions energy: -25.859 where: short stacking energy: -25.859 Base-Backbone interact. energy: -0.098 local terms energy: -30.074727 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -56.419452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.419452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.419452 (E_RNA) where: Base-Base interactions energy: -27.525 where: short stacking energy: -27.525 Base-Backbone interact. energy: 1.143 local terms energy: -30.037119 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -4.788 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -4.166 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: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -51.547399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.547399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.547399 (E_RNA) where: Base-Base interactions energy: -28.975 where: short stacking energy: -20.918 Base-Backbone interact. energy: 1.583 local terms energy: -24.154736 where: bonds (distance) C4'-P energy: -3.175 bonds (distance) P-C4' energy: -4.561 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -4.300 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: 10, replica: 1 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -54.355591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.355591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.355591 (E_RNA) where: Base-Base interactions energy: -25.844 where: short stacking energy: -23.967 Base-Backbone interact. energy: -0.092 local terms energy: -28.419235 where: bonds (distance) C4'-P energy: -6.135 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -120.606651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.606651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.606651 (E_RNA) where: Base-Base interactions energy: -88.343 where: short stacking energy: -35.709 Base-Backbone interact. energy: -0.628 local terms energy: -31.635126 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -111.164752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.164752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.164752 (E_RNA) where: Base-Base interactions energy: -73.009 where: short stacking energy: -36.301 Base-Backbone interact. energy: -0.020 local terms energy: -38.135762 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -8.219 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: 6 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -98.069083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.069083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.069083 (E_RNA) where: Base-Base interactions energy: -63.202 where: short stacking energy: -27.338 Base-Backbone interact. energy: -0.570 local terms energy: -34.296644 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.931 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -103.095545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.095545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.095545 (E_RNA) where: Base-Base interactions energy: -65.925 where: short stacking energy: -30.157 Base-Backbone interact. energy: -1.416 local terms energy: -35.754396 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -74.189486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.189486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.189486 (E_RNA) where: Base-Base interactions energy: -38.142 where: short stacking energy: -35.843 Base-Backbone interact. energy: -0.000 local terms energy: -36.047044 where: bonds (distance) C4'-P energy: -6.604 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -3.724 tors. eta vs tors. theta energy: -8.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -86.977109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.977109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.977109 (E_RNA) where: Base-Base interactions energy: -60.180 where: short stacking energy: -28.852 Base-Backbone interact. energy: -0.100 local terms energy: -26.696942 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -8.741 flat angles P-C4'-P energy: -0.647 tors. eta vs tors. theta energy: -5.091 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: 7 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -60.392801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.392801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.392801 (E_RNA) where: Base-Base interactions energy: -29.849 where: short stacking energy: -26.970 Base-Backbone interact. energy: -0.675 local terms energy: -29.869223 where: bonds (distance) C4'-P energy: -6.217 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -5.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -55.622685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.622685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.622685 (E_RNA) where: Base-Base interactions energy: -27.478 where: short stacking energy: -20.272 Base-Backbone interact. energy: -0.077 local terms energy: -28.066947 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.746 flat angles P-C4'-P energy: -1.862 tors. eta vs tors. theta energy: -1.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -65.554686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.554686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.554686 (E_RNA) where: Base-Base interactions energy: -35.397 where: short stacking energy: -34.629 Base-Backbone interact. energy: -0.002 local terms energy: -30.155632 where: bonds (distance) C4'-P energy: -3.166 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -6.875 tors. eta vs tors. theta energy: -7.292 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: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -39.858345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.858345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.858345 (E_RNA) where: Base-Base interactions energy: -13.918 where: short stacking energy: -13.918 Base-Backbone interact. energy: -0.070 local terms energy: -25.869512 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: 1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -122.040301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.040301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.040301 (E_RNA) where: Base-Base interactions energy: -87.119 where: short stacking energy: -34.141 Base-Backbone interact. energy: -0.009 local terms energy: -34.912783 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -9.380 flat angles P-C4'-P energy: -0.940 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: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -107.511863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.511863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.511863 (E_RNA) where: Base-Base interactions energy: -81.596 where: short stacking energy: -35.871 Base-Backbone interact. energy: 0.958 local terms energy: -26.873577 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -3.360 tors. eta vs tors. theta energy: -6.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -96.683356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.683356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.683356 (E_RNA) where: Base-Base interactions energy: -67.893 where: short stacking energy: -30.219 Base-Backbone interact. energy: -0.585 local terms energy: -28.205717 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -4.246 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: 4, replica: 4 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -100.363042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.363042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.363042 (E_RNA) where: Base-Base interactions energy: -68.924 where: short stacking energy: -33.734 Base-Backbone interact. energy: 0.010 local terms energy: -31.448621 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -6.223 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: 3 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -62.753111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.753111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.753111 (E_RNA) where: Base-Base interactions energy: -28.443 where: short stacking energy: -28.443 Base-Backbone interact. energy: -0.000 local terms energy: -34.309579 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.772 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -6.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -51.557185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.557185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.557185 (E_RNA) where: Base-Base interactions energy: -25.878 where: short stacking energy: -18.603 Base-Backbone interact. energy: -0.085 local terms energy: -25.594211 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -4.592 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -5.443 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: 7, replica: 2 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -70.027599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.027599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.027599 (E_RNA) where: Base-Base interactions energy: -34.159 where: short stacking energy: -32.043 Base-Backbone interact. energy: -0.007 local terms energy: -35.862523 where: bonds (distance) C4'-P energy: -5.548 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -10.365 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: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -54.431334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.431334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.431334 (E_RNA) where: Base-Base interactions energy: -27.988 where: short stacking energy: -27.988 Base-Backbone interact. energy: -0.002 local terms energy: -26.441922 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -3.765 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: 9, replica: 1 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -55.979792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.979792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.979792 (E_RNA) where: Base-Base interactions energy: -26.064 where: short stacking energy: -26.064 Base-Backbone interact. energy: -0.001 local terms energy: -29.914722 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -2.589 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: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -60.707638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.707638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.707638 (E_RNA) where: Base-Base interactions energy: -26.829 where: short stacking energy: -26.829 Base-Backbone interact. energy: -0.000 local terms energy: -33.877849 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -7.596 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: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -115.979552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.979552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.979552 (E_RNA) where: Base-Base interactions energy: -85.587 where: short stacking energy: -35.026 Base-Backbone interact. energy: -0.008 local terms energy: -30.384372 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -3.234 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -7.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -107.644161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.644161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.644161 (E_RNA) where: Base-Base interactions energy: -72.746 where: short stacking energy: -30.949 Base-Backbone interact. energy: -0.227 local terms energy: -34.671237 where: bonds (distance) C4'-P energy: -6.214 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -5.588 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: 4 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -106.082426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.082426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.082426 (E_RNA) where: Base-Base interactions energy: -73.965 where: short stacking energy: -37.421 Base-Backbone interact. energy: -0.586 local terms energy: -31.531522 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -6.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -103.820129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.820129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.820129 (E_RNA) where: Base-Base interactions energy: -72.046 where: short stacking energy: -36.115 Base-Backbone interact. energy: -0.002 local terms energy: -31.772010 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -6.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -74.824940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.824940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.824940 (E_RNA) where: Base-Base interactions energy: -38.399 where: short stacking energy: -38.399 Base-Backbone interact. energy: -0.000 local terms energy: -36.425447 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.806 flat angles C4'-P-C4' energy: -7.405 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -9.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -67.123522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.123522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.123522 (E_RNA) where: Base-Base interactions energy: -33.219 where: short stacking energy: -30.571 Base-Backbone interact. energy: -0.102 local terms energy: -33.803468 where: bonds (distance) C4'-P energy: -5.734 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -6.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -47.861022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.861022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.861022 (E_RNA) where: Base-Base interactions energy: -20.317 where: short stacking energy: -16.810 Base-Backbone interact. energy: 0.190 local terms energy: -27.734647 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -1.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -57.324813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.324813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.324813 (E_RNA) where: Base-Base interactions energy: -22.938 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.002 local terms energy: -34.384607 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -6.771 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: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -59.681087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.681087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.681087 (E_RNA) where: Base-Base interactions energy: -36.932 where: short stacking energy: -12.897 Base-Backbone interact. energy: -0.269 local terms energy: -22.480190 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: 0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -47.746810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.746810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.746810 (E_RNA) where: Base-Base interactions energy: -31.253 where: short stacking energy: -20.717 Base-Backbone interact. energy: -0.306 local terms energy: -16.188050 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -3.557 flat angles P-C4'-P energy: -0.439 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -103.457173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.457173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.457173 (E_RNA) where: Base-Base interactions energy: -79.303 where: short stacking energy: -28.334 Base-Backbone interact. energy: -0.228 local terms energy: -23.926846 where: bonds (distance) C4'-P energy: -4.326 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -0.327 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: 2, replica: 4 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -109.656939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.656939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.656939 (E_RNA) where: Base-Base interactions energy: -72.907 where: short stacking energy: -30.153 Base-Backbone interact. energy: -0.009 local terms energy: -36.740872 where: bonds (distance) C4'-P energy: -6.971 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -7.056 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: 6 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -107.853074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.853074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.853074 (E_RNA) where: Base-Base interactions energy: -70.018 where: short stacking energy: -37.679 Base-Backbone interact. energy: -1.561 local terms energy: -36.274252 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -5.321 tors. eta vs tors. theta energy: -6.058 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: 387 Temperature: 1.050000 Total energy: -75.146145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.146145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.146145 (E_RNA) where: Base-Base interactions energy: -39.816 where: short stacking energy: -39.816 Base-Backbone interact. energy: -0.000 local terms energy: -35.329477 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -4.305 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: 5, replica: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -98.902735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.902735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.902735 (E_RNA) where: Base-Base interactions energy: -64.512 where: short stacking energy: -27.079 Base-Backbone interact. energy: -0.007 local terms energy: -34.383417 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -9.018 flat angles P-C4'-P energy: -5.448 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: 6, replica: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -63.664862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.664862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.664862 (E_RNA) where: Base-Base interactions energy: -34.168 where: short stacking energy: -34.168 Base-Backbone interact. energy: -0.003 local terms energy: -29.494030 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -4.485 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: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -52.605050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.605050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.605050 (E_RNA) where: Base-Base interactions energy: -22.701 where: short stacking energy: -22.701 Base-Backbone interact. energy: -0.001 local terms energy: -29.902911 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -2.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -58.964508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.964508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.964508 (E_RNA) where: Base-Base interactions energy: -28.774 where: short stacking energy: -28.774 Base-Backbone interact. energy: -0.011 local terms energy: -30.179983 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -4.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -47.206240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.206240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.206240 (E_RNA) where: Base-Base interactions energy: -21.565 where: short stacking energy: -18.084 Base-Backbone interact. energy: -0.038 local terms energy: -25.603477 where: bonds (distance) C4'-P energy: -4.550 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -47.419778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.419778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.419778 (E_RNA) where: Base-Base interactions energy: -24.785 where: short stacking energy: -18.802 Base-Backbone interact. energy: -0.059 local terms energy: -22.575861 where: bonds (distance) C4'-P energy: -2.636 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -7.107 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -109.055898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.055898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.055898 (E_RNA) where: Base-Base interactions energy: -70.059 where: short stacking energy: -34.940 Base-Backbone interact. energy: -0.007 local terms energy: -38.989154 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -9.306 flat angles P-C4'-P energy: -7.678 tors. eta vs tors. theta energy: -7.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -112.342262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.342262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.342262 (E_RNA) where: Base-Base interactions energy: -74.386 where: short stacking energy: -35.447 Base-Backbone interact. energy: -0.265 local terms energy: -37.691325 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -9.203 flat angles P-C4'-P energy: -3.429 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: 3, replica: 7 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -75.874845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.874845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.874845 (E_RNA) where: Base-Base interactions energy: -35.590 where: short stacking energy: -35.590 Base-Backbone interact. energy: -0.000 local terms energy: -40.285078 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: -5.447 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: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -101.886455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.886455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.886455 (E_RNA) where: Base-Base interactions energy: -70.806 where: short stacking energy: -24.545 Base-Backbone interact. energy: -0.228 local terms energy: -30.852705 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -5.241 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: 3 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -71.026594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.026594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.026594 (E_RNA) where: Base-Base interactions energy: -40.253 where: short stacking energy: -31.596 Base-Backbone interact. energy: -0.097 local terms energy: -30.677395 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -2.021 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: 6, replica: 10 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -96.751640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.751640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.751640 (E_RNA) where: Base-Base interactions energy: -66.692 where: short stacking energy: -29.542 Base-Backbone interact. energy: -1.011 local terms energy: -29.048912 where: bonds (distance) C4'-P energy: -3.925 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -6.401 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: 7, replica: 2 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -62.164840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.164840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.164840 (E_RNA) where: Base-Base interactions energy: -26.263 where: short stacking energy: -26.263 Base-Backbone interact. energy: -0.000 local terms energy: -35.901864 where: bonds (distance) C4'-P energy: -6.389 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -9.702 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: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -62.226371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.226371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.226371 (E_RNA) where: Base-Base interactions energy: -29.918 where: short stacking energy: -29.918 Base-Backbone interact. energy: -0.010 local terms energy: -32.298863 where: bonds (distance) C4'-P energy: -4.653 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -6.316 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: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -61.821575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.821575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.821575 (E_RNA) where: Base-Base interactions energy: -33.180 where: short stacking energy: -19.837 Base-Backbone interact. energy: -0.062 local terms energy: -28.579443 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.069 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -1.016 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: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -52.971360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.971360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.971360 (E_RNA) where: Base-Base interactions energy: -25.007 where: short stacking energy: -25.007 Base-Backbone interact. energy: -0.000 local terms energy: -27.964217 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -1.652 tors. eta vs tors. theta energy: -4.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -118.091299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.091299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.091299 (E_RNA) where: Base-Base interactions energy: -85.152 where: short stacking energy: -34.481 Base-Backbone interact. energy: -0.003 local terms energy: -32.936170 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -7.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -105.350562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.350562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.350562 (E_RNA) where: Base-Base interactions energy: -69.715 where: short stacking energy: -35.163 Base-Backbone interact. energy: -0.043 local terms energy: -35.593350 where: bonds (distance) C4'-P energy: -7.572 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -6.408 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: 7 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -70.552474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.552474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.552474 (E_RNA) where: Base-Base interactions energy: -38.683 where: short stacking energy: -30.137 Base-Backbone interact. energy: -0.020 local terms energy: -31.849662 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -7.630 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -3.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -77.506696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.506696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.506696 (E_RNA) where: Base-Base interactions energy: -51.548 where: short stacking energy: -31.426 Base-Backbone interact. energy: -0.027 local terms energy: -25.932358 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -102.201398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.201398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.201398 (E_RNA) where: Base-Base interactions energy: -65.173 where: short stacking energy: -34.817 Base-Backbone interact. energy: -1.811 local terms energy: -35.217897 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -5.869 tors. eta vs tors. theta energy: -6.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -95.359543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.359543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.359543 (E_RNA) where: Base-Base interactions energy: -64.038 where: short stacking energy: -28.369 Base-Backbone interact. energy: -0.129 local terms energy: -31.192525 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -6.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -53.818486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.818486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.818486 (E_RNA) where: Base-Base interactions energy: -24.948 where: short stacking energy: -24.948 Base-Backbone interact. energy: -0.038 local terms energy: -28.832855 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -5.535 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -4.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -60.996331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.996331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.996331 (E_RNA) where: Base-Base interactions energy: -35.532 where: short stacking energy: -20.587 Base-Backbone interact. energy: -0.019 local terms energy: -25.445278 where: bonds (distance) C4'-P energy: -3.638 bonds (distance) P-C4' energy: -6.508 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -56.974524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.974524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.974524 (E_RNA) where: Base-Base interactions energy: -31.008 where: short stacking energy: -15.475 Base-Backbone interact. energy: -0.363 local terms energy: -25.603215 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -56.066624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.066624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.066624 (E_RNA) where: Base-Base interactions energy: -33.643 where: short stacking energy: -20.999 Base-Backbone interact. energy: -0.108 local terms energy: -22.315355 where: bonds (distance) C4'-P energy: -5.855 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: 0.230 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: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -111.232552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.232552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.232552 (E_RNA) where: Base-Base interactions energy: -72.319 where: short stacking energy: -38.912 Base-Backbone interact. energy: -2.042 local terms energy: -36.871021 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: -6.711 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: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -109.076402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.076402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.076402 (E_RNA) where: Base-Base interactions energy: -71.041 where: short stacking energy: -35.232 Base-Backbone interact. energy: -1.127 local terms energy: -36.908964 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -8.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -82.139738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.139738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.139738 (E_RNA) where: Base-Base interactions energy: -52.620 where: short stacking energy: -31.434 Base-Backbone interact. energy: -0.010 local terms energy: -29.510112 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -8.262 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -6.994 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -86.271849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.271849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.271849 (E_RNA) where: Base-Base interactions energy: -45.416 where: short stacking energy: -45.416 Base-Backbone interact. energy: -0.000 local terms energy: -40.856294 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -11.834 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: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -105.371438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.371438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.371438 (E_RNA) where: Base-Base interactions energy: -69.334 where: short stacking energy: -37.610 Base-Backbone interact. energy: -0.017 local terms energy: -36.020551 where: bonds (distance) C4'-P energy: -6.242 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -8.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -87.124122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.124122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.124122 (E_RNA) where: Base-Base interactions energy: -57.917 where: short stacking energy: -22.292 Base-Backbone interact. energy: 1.370 local terms energy: -30.576966 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -63.781824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.781824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.781824 (E_RNA) where: Base-Base interactions energy: -31.312 where: short stacking energy: -29.381 Base-Backbone interact. energy: -0.034 local terms energy: -32.436246 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -55.262643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.262643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.262643 (E_RNA) where: Base-Base interactions energy: -28.906 where: short stacking energy: -21.714 Base-Backbone interact. energy: -0.002 local terms energy: -26.354933 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -8.104 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -4.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -52.283518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.283518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.283518 (E_RNA) where: Base-Base interactions energy: -26.788 where: short stacking energy: -16.422 Base-Backbone interact. energy: -0.226 local terms energy: -25.269602 where: bonds (distance) C4'-P energy: -6.463 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -1.414 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -62.332435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.332435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.332435 (E_RNA) where: Base-Base interactions energy: -36.406 where: short stacking energy: -7.834 Base-Backbone interact. energy: -0.274 local terms energy: -25.651807 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -7.799 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -0.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -110.063433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.063433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.063433 (E_RNA) where: Base-Base interactions energy: -70.279 where: short stacking energy: -34.388 Base-Backbone interact. energy: -1.465 local terms energy: -38.319954 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -7.727 tors. eta vs tors. theta energy: -7.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -110.181914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.181914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.181914 (E_RNA) where: Base-Base interactions energy: -71.446 where: short stacking energy: -35.333 Base-Backbone interact. energy: -1.602 local terms energy: -37.133615 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -6.825 tors. eta vs tors. theta energy: -7.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -84.985157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.985157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.985157 (E_RNA) where: Base-Base interactions energy: -50.001 where: short stacking energy: -32.796 Base-Backbone interact. energy: -0.002 local terms energy: -34.981848 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -7.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -104.609159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.609159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.609159 (E_RNA) where: Base-Base interactions energy: -69.791 where: short stacking energy: -34.021 Base-Backbone interact. energy: -0.004 local terms energy: -34.813787 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -9.028 flat angles P-C4'-P energy: -3.817 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: 7 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -64.778935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.778935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.778935 (E_RNA) where: Base-Base interactions energy: -33.243 where: short stacking energy: -33.243 Base-Backbone interact. energy: -0.001 local terms energy: -31.534679 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -5.601 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: 6, replica: 10 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -96.033048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.033048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.033048 (E_RNA) where: Base-Base interactions energy: -61.892 where: short stacking energy: -29.717 Base-Backbone interact. energy: -0.130 local terms energy: -34.010961 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -7.580 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -59.233252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.233252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.233252 (E_RNA) where: Base-Base interactions energy: -39.498 where: short stacking energy: -20.731 Base-Backbone interact. energy: -0.027 local terms energy: -19.708629 where: bonds (distance) C4'-P energy: 0.034 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: 0.207 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: 391 Temperature: 1.250000 Total energy: -58.779046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.779046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.779046 (E_RNA) where: Base-Base interactions energy: -26.340 where: short stacking energy: -26.340 Base-Backbone interact. energy: -0.001 local terms energy: -32.438544 where: bonds (distance) C4'-P energy: -5.319 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -6.322 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: 9, replica: 2 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -49.048245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.048245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.048245 (E_RNA) where: Base-Base interactions energy: -30.967 where: short stacking energy: -16.184 Base-Backbone interact. energy: -0.291 local terms energy: -17.789761 where: bonds (distance) C4'-P energy: -4.782 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: 1.799 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -1.398 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: 5 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -68.149827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.149827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.149827 (E_RNA) where: Base-Base interactions energy: -47.034 where: short stacking energy: -17.562 Base-Backbone interact. energy: -0.578 local terms energy: -20.537520 where: bonds (distance) C4'-P energy: -5.550 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -1.334 tors. eta vs tors. theta energy: -0.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -110.178332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.178332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.178332 (E_RNA) where: Base-Base interactions energy: -75.998 where: short stacking energy: -35.010 Base-Backbone interact. energy: -0.143 local terms energy: -34.037118 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -3.698 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: 2, replica: 8 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -107.556598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.556598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.556598 (E_RNA) where: Base-Base interactions energy: -70.071 where: short stacking energy: -35.059 Base-Backbone interact. energy: -1.754 local terms energy: -35.731956 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -7.376 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: 6 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -101.225529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.225529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.225529 (E_RNA) where: Base-Base interactions energy: -67.883 where: short stacking energy: -28.930 Base-Backbone interact. energy: -0.003 local terms energy: -33.340069 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -7.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -82.020933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.020933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.020933 (E_RNA) where: Base-Base interactions energy: -50.661 where: short stacking energy: -23.740 Base-Backbone interact. energy: -0.063 local terms energy: -31.296308 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -5.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -102.254588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.254588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.254588 (E_RNA) where: Base-Base interactions energy: -68.672 where: short stacking energy: -34.142 Base-Backbone interact. energy: -0.515 local terms energy: -33.067189 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -66.623996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.623996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.623996 (E_RNA) where: Base-Base interactions energy: -39.050 where: short stacking energy: -26.176 Base-Backbone interact. energy: -0.109 local terms energy: -27.465299 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.523 flat angles P-C4'-P energy: -5.536 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -60.115954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.115954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.115954 (E_RNA) where: Base-Base interactions energy: -28.531 where: short stacking energy: -19.675 Base-Backbone interact. energy: -0.008 local terms energy: -31.577612 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -73.752671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.752671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.752671 (E_RNA) where: Base-Base interactions energy: -44.882 where: short stacking energy: -25.605 Base-Backbone interact. energy: 0.965 local terms energy: -29.835230 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.201 flat angles P-C4'-P energy: -4.475 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: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -56.195044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.195044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.195044 (E_RNA) where: Base-Base interactions energy: -32.883 where: short stacking energy: -17.922 Base-Backbone interact. energy: -0.752 local terms energy: -22.560425 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -6.954 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -2.415 tors. eta vs tors. theta energy: 1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -49.697075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.697075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.697075 (E_RNA) where: Base-Base interactions energy: -25.585 where: short stacking energy: -13.547 Base-Backbone interact. energy: -0.001 local terms energy: -24.111693 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: 2.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -112.190312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.190312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.190312 (E_RNA) where: Base-Base interactions energy: -82.261 where: short stacking energy: -32.360 Base-Backbone interact. energy: -0.129 local terms energy: -29.800921 where: bonds (distance) C4'-P energy: -6.486 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -0.415 tors. eta vs tors. theta energy: -8.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -105.879718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.879718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.879718 (E_RNA) where: Base-Base interactions energy: -70.090 where: short stacking energy: -35.221 Base-Backbone interact. energy: -0.001 local terms energy: -35.789122 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.334 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -8.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -98.000364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.000364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.000364 (E_RNA) where: Base-Base interactions energy: -67.481 where: short stacking energy: -32.812 Base-Backbone interact. energy: -1.433 local terms energy: -29.086143 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -106.456020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.456020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.456020 (E_RNA) where: Base-Base interactions energy: -74.601 where: short stacking energy: -28.387 Base-Backbone interact. energy: -0.519 local terms energy: -31.336429 where: bonds (distance) C4'-P energy: -7.819 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -4.906 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -71.196159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.196159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.196159 (E_RNA) where: Base-Base interactions energy: -40.423 where: short stacking energy: -18.937 Base-Backbone interact. energy: -0.015 local terms energy: -30.758705 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -3.245 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: 9 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -55.686458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.686458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.686458 (E_RNA) where: Base-Base interactions energy: -24.637 where: short stacking energy: -19.290 Base-Backbone interact. energy: -0.133 local terms energy: -30.916725 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -60.418080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.418080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.418080 (E_RNA) where: Base-Base interactions energy: -31.225 where: short stacking energy: -31.225 Base-Backbone interact. energy: -0.018 local terms energy: -29.175877 where: bonds (distance) C4'-P energy: -6.773 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -2.015 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -6.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -56.470743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.470743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.470743 (E_RNA) where: Base-Base interactions energy: -22.046 where: short stacking energy: -22.046 Base-Backbone interact. energy: -0.054 local terms energy: -34.371212 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -54.841215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.841215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.841215 (E_RNA) where: Base-Base interactions energy: -28.015 where: short stacking energy: -26.912 Base-Backbone interact. energy: -0.005 local terms energy: -26.821344 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -3.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -50.344747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.344747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.344747 (E_RNA) where: Base-Base interactions energy: -23.781 where: short stacking energy: -20.481 Base-Backbone interact. energy: -0.026 local terms energy: -26.537455 where: bonds (distance) C4'-P energy: -6.211 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -4.461 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: 1, replica: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -105.759542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.759542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.759542 (E_RNA) where: Base-Base interactions energy: -68.905 where: short stacking energy: -32.998 Base-Backbone interact. energy: 0.392 local terms energy: -37.247166 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -7.965 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: 4 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -116.472239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.472239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.472239 (E_RNA) where: Base-Base interactions energy: -84.398 where: short stacking energy: -32.299 Base-Backbone interact. energy: -0.433 local terms energy: -31.640877 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: 0.322 tors. eta vs tors. theta energy: -7.486 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: 10 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -107.486565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.486565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.486565 (E_RNA) where: Base-Base interactions energy: -77.076 where: short stacking energy: -33.094 Base-Backbone interact. energy: -0.002 local terms energy: -30.408994 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -2.080 tors. eta vs tors. theta energy: -7.147 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: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -111.138371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.138371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.138371 (E_RNA) where: Base-Base interactions energy: -70.709 where: short stacking energy: -34.265 Base-Backbone interact. energy: -1.417 local terms energy: -39.011844 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -8.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -62.150988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.150988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.150988 (E_RNA) where: Base-Base interactions energy: -31.265 where: short stacking energy: -31.265 Base-Backbone interact. energy: -0.002 local terms energy: -30.884184 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -4.078 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: 6, replica: 3 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -56.501459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.501459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.501459 (E_RNA) where: Base-Base interactions energy: -25.377 where: short stacking energy: -25.377 Base-Backbone interact. energy: -0.042 local terms energy: -31.082445 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -6.354 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -7.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -58.861802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.861802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.861802 (E_RNA) where: Base-Base interactions energy: -26.764 where: short stacking energy: -26.764 Base-Backbone interact. energy: -0.015 local terms energy: -32.083242 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.096 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -56.046376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.046376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.046376 (E_RNA) where: Base-Base interactions energy: -31.971 where: short stacking energy: -21.016 Base-Backbone interact. energy: 0.416 local terms energy: -24.491570 where: bonds (distance) C4'-P energy: -4.470 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -3.871 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: 9, replica: 2 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -54.112651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.112651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.112651 (E_RNA) where: Base-Base interactions energy: -29.114 where: short stacking energy: -21.496 Base-Backbone interact. energy: -0.251 local terms energy: -24.747686 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -3.634 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -2.204 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: 5 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -61.256323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.256323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.256323 (E_RNA) where: Base-Base interactions energy: -26.258 where: short stacking energy: -26.258 Base-Backbone interact. energy: -0.100 local terms energy: -34.898599 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -8.684 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -6.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -105.732497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.732497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.732497 (E_RNA) where: Base-Base interactions energy: -71.452 where: short stacking energy: -36.223 Base-Backbone interact. energy: -0.004 local terms energy: -34.275735 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -5.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -105.796485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.796485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.796485 (E_RNA) where: Base-Base interactions energy: -69.966 where: short stacking energy: -33.561 Base-Backbone interact. energy: -1.123 local terms energy: -34.707683 where: bonds (distance) C4'-P energy: -6.243 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -7.445 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: 3, replica: 10 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -110.282488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.282488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.282488 (E_RNA) where: Base-Base interactions energy: -73.214 where: short stacking energy: -36.588 Base-Backbone interact. energy: -0.801 local terms energy: -36.267404 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.959 flat angles P-C4'-P energy: -3.999 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: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -105.709910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.709910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.709910 (E_RNA) where: Base-Base interactions energy: -69.158 where: short stacking energy: -33.596 Base-Backbone interact. energy: -0.858 local terms energy: -35.694091 where: bonds (distance) C4'-P energy: -5.952 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -7.111 tors. eta vs tors. theta energy: -6.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -73.764391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.764391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.764391 (E_RNA) where: Base-Base interactions energy: -38.087 where: short stacking energy: -38.087 Base-Backbone interact. energy: -0.000 local terms energy: -35.677080 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -9.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -61.740007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.740007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.740007 (E_RNA) where: Base-Base interactions energy: -31.696 where: short stacking energy: -24.338 Base-Backbone interact. energy: -0.002 local terms energy: -30.041568 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -92.731921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.731921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.731921 (E_RNA) where: Base-Base interactions energy: -65.714 where: short stacking energy: -29.919 Base-Backbone interact. energy: -0.018 local terms energy: -26.999608 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -3.633 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -2.352 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: 8, replica: 2 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -67.237106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.237106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.237106 (E_RNA) where: Base-Base interactions energy: -40.150 where: short stacking energy: -26.763 Base-Backbone interact. energy: -0.741 local terms energy: -26.346700 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -55.716081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.716081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.716081 (E_RNA) where: Base-Base interactions energy: -21.682 where: short stacking energy: -21.682 Base-Backbone interact. energy: -0.041 local terms energy: -33.993069 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -8.704 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -5.456 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: 5 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -56.912566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.912566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.912566 (E_RNA) where: Base-Base interactions energy: -22.286 where: short stacking energy: -22.286 Base-Backbone interact. energy: 0.447 local terms energy: -35.073478 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -6.649 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: 1, replica: 4 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -110.760071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.760071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.760071 (E_RNA) where: Base-Base interactions energy: -71.911 where: short stacking energy: -35.387 Base-Backbone interact. energy: -2.015 local terms energy: -36.834118 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -6.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -108.694637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.694637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.694637 (E_RNA) where: Base-Base interactions energy: -71.000 where: short stacking energy: -35.919 Base-Backbone interact. energy: -1.060 local terms energy: -36.634858 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -7.712 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: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -104.369609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.369609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.369609 (E_RNA) where: Base-Base interactions energy: -72.162 where: short stacking energy: -36.088 Base-Backbone interact. energy: -0.488 local terms energy: -31.719681 where: bonds (distance) C4'-P energy: -5.009 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -5.940 tors. eta vs tors. theta energy: -6.430 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: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -103.354076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.354076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.354076 (E_RNA) where: Base-Base interactions energy: -67.198 where: short stacking energy: -33.709 Base-Backbone interact. energy: -0.001 local terms energy: -36.154963 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -7.141 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: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -62.172731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.172731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.172731 (E_RNA) where: Base-Base interactions energy: -34.944 where: short stacking energy: -17.754 Base-Backbone interact. energy: -0.341 local terms energy: -26.888498 where: bonds (distance) C4'-P energy: -3.411 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -2.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -63.411103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.411103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.411103 (E_RNA) where: Base-Base interactions energy: -39.092 where: short stacking energy: -27.213 Base-Backbone interact. energy: -0.041 local terms energy: -24.277885 where: bonds (distance) C4'-P energy: -5.952 bonds (distance) P-C4' energy: -6.849 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -4.479 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: 7, replica: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -61.972753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.972753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.972753 (E_RNA) where: Base-Base interactions energy: -28.427 where: short stacking energy: -28.427 Base-Backbone interact. energy: -0.082 local terms energy: -33.464320 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -6.371 tors. eta vs tors. theta energy: -6.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -79.117299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.117299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.117299 (E_RNA) where: Base-Base interactions energy: -52.550 where: short stacking energy: -23.898 Base-Backbone interact. energy: -0.085 local terms energy: -26.482118 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -2.789 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -54.364977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.364977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.364977 (E_RNA) where: Base-Base interactions energy: -31.758 where: short stacking energy: -22.070 Base-Backbone interact. energy: -0.210 local terms energy: -22.397459 where: bonds (distance) C4'-P energy: -5.182 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -3.708 flat angles P-C4'-P energy: -5.671 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: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -58.432435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.432435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.432435 (E_RNA) where: Base-Base interactions energy: -27.297 where: short stacking energy: -27.297 Base-Backbone interact. energy: -0.000 local terms energy: -31.135536 where: bonds (distance) C4'-P energy: -5.066 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -109.391514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.391514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.391514 (E_RNA) where: Base-Base interactions energy: -69.778 where: short stacking energy: -34.169 Base-Backbone interact. energy: -0.196 local terms energy: -39.417762 where: bonds (distance) C4'-P energy: -7.900 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -8.595 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: -8.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -108.485740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.485740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.485740 (E_RNA) where: Base-Base interactions energy: -70.932 where: short stacking energy: -31.370 Base-Backbone interact. energy: -0.959 local terms energy: -36.594100 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -7.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -105.504821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.504821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.504821 (E_RNA) where: Base-Base interactions energy: -68.947 where: short stacking energy: -33.572 Base-Backbone interact. energy: -0.002 local terms energy: -36.556087 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -7.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -112.580742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.580742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.580742 (E_RNA) where: Base-Base interactions energy: -82.675 where: short stacking energy: -31.476 Base-Backbone interact. energy: -0.008 local terms energy: -29.897789 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -1.484 tors. eta vs tors. theta energy: -6.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -58.421926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.421926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.421926 (E_RNA) where: Base-Base interactions energy: -24.441 where: short stacking energy: -24.441 Base-Backbone interact. energy: -0.006 local terms energy: -33.974688 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -6.198 tors. eta vs tors. theta energy: -4.862 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: 2 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -69.261177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.261177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.261177 (E_RNA) where: Base-Base interactions energy: -35.633 where: short stacking energy: -35.633 Base-Backbone interact. energy: -0.000 local terms energy: -33.628408 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -8.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -91.838555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.838555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.838555 (E_RNA) where: Base-Base interactions energy: -60.409 where: short stacking energy: -30.001 Base-Backbone interact. energy: -0.089 local terms energy: -31.340873 where: bonds (distance) C4'-P energy: -6.548 bonds (distance) P-C4' energy: -6.155 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -5.191 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: 5 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -49.338859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.338859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.338859 (E_RNA) where: Base-Base interactions energy: -22.198 where: short stacking energy: -18.535 Base-Backbone interact. energy: -0.206 local terms energy: -26.934823 where: bonds (distance) C4'-P energy: -6.244 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -1.922 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: 9, replica: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -64.678367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.678367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.678367 (E_RNA) where: Base-Base interactions energy: -29.985 where: short stacking energy: -29.985 Base-Backbone interact. energy: -0.024 local terms energy: -34.669670 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -9.134 flat angles P-C4'-P energy: -2.627 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -55.319305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.319305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.319305 (E_RNA) where: Base-Base interactions energy: -19.898 where: short stacking energy: -19.898 Base-Backbone interact. energy: -0.013 local terms energy: -35.407639 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.041 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: -4.374 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: 4 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -109.500264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.500264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.500264 (E_RNA) where: Base-Base interactions energy: -73.682 where: short stacking energy: -36.728 Base-Backbone interact. energy: -0.313 local terms energy: -35.504970 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -7.749 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: 2, replica: 8 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -107.511676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.511676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.511676 (E_RNA) where: Base-Base interactions energy: -68.752 where: short stacking energy: -34.790 Base-Backbone interact. energy: -0.299 local terms energy: -38.460417 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -7.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -109.519209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.519209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.519209 (E_RNA) where: Base-Base interactions energy: -80.753 where: short stacking energy: -30.641 Base-Backbone interact. energy: -0.163 local terms energy: -28.603243 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -1.130 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -102.893964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.893964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.893964 (E_RNA) where: Base-Base interactions energy: -71.309 where: short stacking energy: -35.371 Base-Backbone interact. energy: -0.471 local terms energy: -31.113855 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.607 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -77.079598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.079598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.079598 (E_RNA) where: Base-Base interactions energy: -42.001 where: short stacking energy: -42.001 Base-Backbone interact. energy: -0.000 local terms energy: -35.078093 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -3.896 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: 6, replica: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -54.503312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.503312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.503312 (E_RNA) where: Base-Base interactions energy: -21.351 where: short stacking energy: -21.351 Base-Backbone interact. energy: -0.051 local terms energy: -33.101911 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -5.757 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: 7, replica: 9 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -98.114635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.114635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.114635 (E_RNA) where: Base-Base interactions energy: -71.716 where: short stacking energy: -28.363 Base-Backbone interact. energy: -0.002 local terms energy: -26.395938 where: bonds (distance) C4'-P energy: -5.560 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -2.755 tors. eta vs tors. theta energy: -7.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -59.424920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.424920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.424920 (E_RNA) where: Base-Base interactions energy: -32.446 where: short stacking energy: -32.446 Base-Backbone interact. energy: -0.000 local terms energy: -26.978951 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -4.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -61.222532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.222532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.222532 (E_RNA) where: Base-Base interactions energy: -32.990 where: short stacking energy: -22.204 Base-Backbone interact. energy: -0.035 local terms energy: -28.197536 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -4.076 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -5.354 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: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -48.613966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.613966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.613966 (E_RNA) where: Base-Base interactions energy: -19.237 where: short stacking energy: -19.237 Base-Backbone interact. energy: -0.005 local terms energy: -29.372268 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.564 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -111.695244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.695244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.695244 (E_RNA) where: Base-Base interactions energy: -72.197 where: short stacking energy: -35.411 Base-Backbone interact. energy: -0.902 local terms energy: -38.596338 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -7.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -107.963583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.963583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.963583 (E_RNA) where: Base-Base interactions energy: -73.925 where: short stacking energy: -37.699 Base-Backbone interact. energy: -0.020 local terms energy: -34.018273 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -3.624 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: 3, replica: 8 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -108.160115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.160115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.160115 (E_RNA) where: Base-Base interactions energy: -68.060 where: short stacking energy: -34.235 Base-Backbone interact. energy: -1.161 local terms energy: -38.938815 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -6.733 tors. eta vs tors. theta energy: -8.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -97.058901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.058901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.058901 (E_RNA) where: Base-Base interactions energy: -65.041 where: short stacking energy: -28.776 Base-Backbone interact. energy: -0.213 local terms energy: -31.804501 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -4.733 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: 399 Temperature: 1.100000 Total energy: -70.840315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.840315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.840315 (E_RNA) where: Base-Base interactions energy: -35.953 where: short stacking energy: -35.953 Base-Backbone interact. energy: -0.004 local terms energy: -34.883605 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -10.102 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: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -103.214199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.214199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.214199 (E_RNA) where: Base-Base interactions energy: -69.596 where: short stacking energy: -35.190 Base-Backbone interact. energy: -0.378 local terms energy: -33.240522 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -4.769 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: -7.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -58.451330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.451330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.451330 (E_RNA) where: Base-Base interactions energy: -33.840 where: short stacking energy: -17.151 Base-Backbone interact. energy: -0.079 local terms energy: -24.531981 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -1.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -51.306492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.306492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.306492 (E_RNA) where: Base-Base interactions energy: -20.177 where: short stacking energy: -20.177 Base-Backbone interact. energy: 0.581 local terms energy: -31.710151 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -7.652 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -62.159950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.159950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.159950 (E_RNA) where: Base-Base interactions energy: -32.129 where: short stacking energy: -19.925 Base-Backbone interact. energy: -0.000 local terms energy: -30.030703 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -4.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -47.156653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.156653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.156653 (E_RNA) where: Base-Base interactions energy: -26.344 where: short stacking energy: -21.432 Base-Backbone interact. energy: -0.333 local terms energy: -20.479619 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -5.414 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -1.621 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -109.930608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.930608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.930608 (E_RNA) where: Base-Base interactions energy: -72.090 where: short stacking energy: -34.757 Base-Backbone interact. energy: -0.825 local terms energy: -37.016234 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -8.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -111.951881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.951881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.951881 (E_RNA) where: Base-Base interactions energy: -72.529 where: short stacking energy: -35.760 Base-Backbone interact. energy: -1.539 local terms energy: -37.884468 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -7.943 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: 8 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -109.840539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.840539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.840539 (E_RNA) where: Base-Base interactions energy: -71.385 where: short stacking energy: -35.947 Base-Backbone interact. energy: -1.397 local terms energy: -37.059191 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -7.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -95.120533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.120533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.120533 (E_RNA) where: Base-Base interactions energy: -60.705 where: short stacking energy: -26.047 Base-Backbone interact. energy: -1.602 local terms energy: -32.813026 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -8.106 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -4.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -108.643255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.643255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.643255 (E_RNA) where: Base-Base interactions energy: -76.423 where: short stacking energy: -35.622 Base-Backbone interact. energy: -0.041 local terms energy: -32.179047 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -7.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -77.231266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.231266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.231266 (E_RNA) where: Base-Base interactions energy: -50.377 where: short stacking energy: -21.192 Base-Backbone interact. energy: -0.120 local terms energy: -26.734063 where: bonds (distance) C4'-P energy: -6.429 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -3.101 flat angles P-C4'-P energy: -6.301 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -70.809940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.809940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.809940 (E_RNA) where: Base-Base interactions energy: -34.228 where: short stacking energy: -29.664 Base-Backbone interact. energy: -0.000 local terms energy: -36.581672 where: bonds (distance) C4'-P energy: -6.259 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -9.280 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: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -51.818621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.818621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.818621 (E_RNA) where: Base-Base interactions energy: -26.474 where: short stacking energy: -11.273 Base-Backbone interact. energy: -0.099 local terms energy: -25.246148 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: 1.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -54.831176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.831176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.831176 (E_RNA) where: Base-Base interactions energy: -24.027 where: short stacking energy: -24.027 Base-Backbone interact. energy: -0.000 local terms energy: -30.804058 where: bonds (distance) C4'-P energy: -4.798 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -8.108 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -5.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -59.486046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.486046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.486046 (E_RNA) where: Base-Base interactions energy: -36.572 where: short stacking energy: -18.843 Base-Backbone interact. energy: -0.082 local terms energy: -22.832138 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -6.932 flat angles C4'-P-C4' energy: -7.810 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: 1.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -108.829503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.829503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.829503 (E_RNA) where: Base-Base interactions energy: -71.092 where: short stacking energy: -34.102 Base-Backbone interact. energy: -0.401 local terms energy: -37.336395 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -8.600 flat angles P-C4'-P energy: -6.155 tors. eta vs tors. theta energy: -7.582 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: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -108.463679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.463679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.463679 (E_RNA) where: Base-Base interactions energy: -71.558 where: short stacking energy: -35.498 Base-Backbone interact. energy: -0.005 local terms energy: -36.900963 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -9.014 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -106.091663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.091663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.091663 (E_RNA) where: Base-Base interactions energy: -71.058 where: short stacking energy: -35.042 Base-Backbone interact. energy: -0.007 local terms energy: -35.026522 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.402 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -6.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -109.348202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.348202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.348202 (E_RNA) where: Base-Base interactions energy: -73.091 where: short stacking energy: -36.029 Base-Backbone interact. energy: -1.010 local terms energy: -35.247237 where: bonds (distance) C4'-P energy: -7.059 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: -6.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -101.746226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.746226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.746226 (E_RNA) where: Base-Base interactions energy: -72.037 where: short stacking energy: -36.658 Base-Backbone interact. energy: -0.434 local terms energy: -29.275597 where: bonds (distance) C4'-P energy: -5.940 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -2.483 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: 6, replica: 7 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -66.996246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.996246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.996246 (E_RNA) where: Base-Base interactions energy: -32.214 where: short stacking energy: -32.214 Base-Backbone interact. energy: -0.487 local terms energy: -34.294895 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -7.275 flat angles C4'-P-C4' energy: -8.450 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -6.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -74.027919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.027919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.027919 (E_RNA) where: Base-Base interactions energy: -46.222 where: short stacking energy: -21.190 Base-Backbone interact. energy: -0.096 local terms energy: -27.710198 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -0.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -56.742816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.742816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.742816 (E_RNA) where: Base-Base interactions energy: -27.627 where: short stacking energy: -27.627 Base-Backbone interact. energy: -0.028 local terms energy: -29.087327 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -6.329 flat angles C4'-P-C4' energy: -4.775 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -5.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -66.687733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.687733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.687733 (E_RNA) where: Base-Base interactions energy: -45.196 where: short stacking energy: -19.687 Base-Backbone interact. energy: -0.148 local terms energy: -21.343882 where: bonds (distance) C4'-P energy: -3.286 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -9.022 flat angles P-C4'-P energy: -0.163 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -55.886450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.886450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.886450 (E_RNA) where: Base-Base interactions energy: -29.134 where: short stacking energy: -29.134 Base-Backbone interact. energy: -0.029 local terms energy: -26.723507 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -2.565 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: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -110.638022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.638022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.638022 (E_RNA) where: Base-Base interactions energy: -72.698 where: short stacking energy: -35.975 Base-Backbone interact. energy: -1.074 local terms energy: -36.865956 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -6.870 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -7.279 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: 4 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -109.560106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.560106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.560106 (E_RNA) where: Base-Base interactions energy: -71.024 where: short stacking energy: -36.424 Base-Backbone interact. energy: -1.846 local terms energy: -36.690161 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: -6.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -95.597934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.597934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.597934 (E_RNA) where: Base-Base interactions energy: -67.412 where: short stacking energy: -25.838 Base-Backbone interact. energy: -0.773 local terms energy: -27.413432 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -4.995 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: 4, replica: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -99.285108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.285108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.285108 (E_RNA) where: Base-Base interactions energy: -66.294 where: short stacking energy: -31.159 Base-Backbone interact. energy: -0.177 local terms energy: -32.813973 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -7.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -75.753542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.753542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.753542 (E_RNA) where: Base-Base interactions energy: -37.460 where: short stacking energy: -37.460 Base-Backbone interact. energy: -0.000 local terms energy: -38.293658 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -5.326 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: 6, replica: 6 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -98.371760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.371760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.371760 (E_RNA) where: Base-Base interactions energy: -61.643 where: short stacking energy: -25.531 Base-Backbone interact. energy: -1.175 local terms energy: -35.553805 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -6.711 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -67.722853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.722853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.722853 (E_RNA) where: Base-Base interactions energy: -48.581 where: short stacking energy: -25.253 Base-Backbone interact. energy: 1.093 local terms energy: -20.235115 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -1.382 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -73.662420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.662420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.662420 (E_RNA) where: Base-Base interactions energy: -36.160 where: short stacking energy: -29.026 Base-Backbone interact. energy: -0.003 local terms energy: -37.498737 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -6.602 tors. eta vs tors. theta energy: -6.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -68.662599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.662599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.662599 (E_RNA) where: Base-Base interactions energy: -35.164 where: short stacking energy: -35.164 Base-Backbone interact. energy: -0.000 local terms energy: -33.497941 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -4.784 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -6.327 tors. eta vs tors. theta energy: -7.151 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: 10, replica: 1 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -49.793430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.793430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.793430 (E_RNA) where: Base-Base interactions energy: -24.322 where: short stacking energy: -19.803 Base-Backbone interact. energy: -0.012 local terms energy: -25.460283 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -0.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -112.524438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.524438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.524438 (E_RNA) where: Base-Base interactions energy: -73.437 where: short stacking energy: -37.206 Base-Backbone interact. energy: -1.693 local terms energy: -37.394160 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -7.156 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -6.002 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: 2, replica: 4 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -109.852057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.852057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.852057 (E_RNA) where: Base-Base interactions energy: -72.296 where: short stacking energy: -34.784 Base-Backbone interact. energy: -1.060 local terms energy: -36.495783 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.477 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -6.264 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: 3, replica: 10 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -86.488506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.488506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.488506 (E_RNA) where: Base-Base interactions energy: -55.942 where: short stacking energy: -24.190 Base-Backbone interact. energy: -0.025 local terms energy: -30.521215 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -100.285941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.285941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.285941 (E_RNA) where: Base-Base interactions energy: -67.877 where: short stacking energy: -35.788 Base-Backbone interact. energy: -0.002 local terms energy: -32.406948 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -74.951144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.951144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.951144 (E_RNA) where: Base-Base interactions energy: -49.853 where: short stacking energy: -25.535 Base-Backbone interact. energy: -0.225 local terms energy: -24.872782 where: bonds (distance) C4'-P energy: -5.551 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -1.423 tors. eta vs tors. theta energy: -4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -58.593676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.593676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.593676 (E_RNA) where: Base-Base interactions energy: -34.779 where: short stacking energy: -17.317 Base-Backbone interact. energy: -0.127 local terms energy: -23.687225 where: bonds (distance) C4'-P energy: -5.870 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -90.279873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.279873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.279873 (E_RNA) where: Base-Base interactions energy: -58.423 where: short stacking energy: -23.498 Base-Backbone interact. energy: 0.063 local terms energy: -31.920013 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -6.424 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: 8, replica: 5 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -58.018804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.018804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.018804 (E_RNA) where: Base-Base interactions energy: -24.404 where: short stacking energy: -24.404 Base-Backbone interact. energy: -0.000 local terms energy: -33.614790 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -5.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -54.430041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.430041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.430041 (E_RNA) where: Base-Base interactions energy: -21.686 where: short stacking energy: -21.686 Base-Backbone interact. energy: -0.001 local terms energy: -32.743736 where: bonds (distance) C4'-P energy: -4.710 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -5.922 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: 1 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -57.377735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.377735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.377735 (E_RNA) where: Base-Base interactions energy: -36.124 where: short stacking energy: -26.523 Base-Backbone interact. energy: -0.095 local terms energy: -21.159118 where: bonds (distance) C4'-P energy: -5.791 bonds (distance) P-C4' energy: -3.342 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -113.487057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.487057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.487057 (E_RNA) where: Base-Base interactions energy: -72.770 where: short stacking energy: -35.636 Base-Backbone interact. energy: -1.411 local terms energy: -39.305819 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -8.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -111.285572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.285572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.285572 (E_RNA) where: Base-Base interactions energy: -74.953 where: short stacking energy: -37.866 Base-Backbone interact. energy: -0.087 local terms energy: -36.245694 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -8.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -104.342065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.342065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.342065 (E_RNA) where: Base-Base interactions energy: -66.498 where: short stacking energy: -29.501 Base-Backbone interact. energy: -1.411 local terms energy: -36.433604 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -7.776 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: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -101.431852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.431852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.431852 (E_RNA) where: Base-Base interactions energy: -66.605 where: short stacking energy: -34.908 Base-Backbone interact. energy: -0.063 local terms energy: -34.763479 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -5.223 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: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -74.032937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.032937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.032937 (E_RNA) where: Base-Base interactions energy: -42.947 where: short stacking energy: -21.653 Base-Backbone interact. energy: -0.124 local terms energy: -30.962133 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -5.947 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: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -83.797627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.797627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.797627 (E_RNA) where: Base-Base interactions energy: -56.644 where: short stacking energy: -22.784 Base-Backbone interact. energy: -0.050 local terms energy: -27.103939 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: -2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -87.869944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.869944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.869944 (E_RNA) where: Base-Base interactions energy: -62.618 where: short stacking energy: -30.359 Base-Backbone interact. energy: 2.136 local terms energy: -27.387576 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -49.214838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.214838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.214838 (E_RNA) where: Base-Base interactions energy: -26.063 where: short stacking energy: -26.063 Base-Backbone interact. energy: -0.343 local terms energy: -22.809232 where: bonds (distance) C4'-P energy: -1.718 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -55.819791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.819791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.819791 (E_RNA) where: Base-Base interactions energy: -25.533 where: short stacking energy: -25.533 Base-Backbone interact. energy: -0.000 local terms energy: -30.286696 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.684 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -2.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -51.917865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.917865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.917865 (E_RNA) where: Base-Base interactions energy: -25.810 where: short stacking energy: -20.619 Base-Backbone interact. energy: -0.000 local terms energy: -26.108003 where: bonds (distance) C4'-P energy: -5.080 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -1.651 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: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -108.905230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.905230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.905230 (E_RNA) where: Base-Base interactions energy: -73.763 where: short stacking energy: -35.643 Base-Backbone interact. energy: -0.002 local terms energy: -35.140624 where: bonds (distance) C4'-P energy: -5.974 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -8.912 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -7.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -99.586715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.586715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.586715 (E_RNA) where: Base-Base interactions energy: -65.408 where: short stacking energy: -34.083 Base-Backbone interact. energy: -0.000 local terms energy: -34.178787 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -6.137 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: 4 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -107.424834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.424834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.424834 (E_RNA) where: Base-Base interactions energy: -79.707 where: short stacking energy: -31.918 Base-Backbone interact. energy: -0.017 local terms energy: -27.701601 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -5.926 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -1.816 tors. eta vs tors. theta energy: -6.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -102.243024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.243024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.243024 (E_RNA) where: Base-Base interactions energy: -67.716 where: short stacking energy: -36.583 Base-Backbone interact. energy: -0.009 local terms energy: -34.517681 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -9.254 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -7.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -89.409304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.409304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.409304 (E_RNA) where: Base-Base interactions energy: -49.373 where: short stacking energy: -35.854 Base-Backbone interact. energy: -0.007 local terms energy: -40.029270 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.517 flat angles P-C4'-P energy: -6.036 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: 6, replica: 7 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -83.615247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.615247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.615247 (E_RNA) where: Base-Base interactions energy: -57.506 where: short stacking energy: -24.252 Base-Backbone interact. energy: -0.033 local terms energy: -26.076743 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -1.886 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -98.360736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.360736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.360736 (E_RNA) where: Base-Base interactions energy: -70.012 where: short stacking energy: -26.290 Base-Backbone interact. energy: -0.004 local terms energy: -28.344334 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -1.680 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -60.547309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.547309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.547309 (E_RNA) where: Base-Base interactions energy: -31.608 where: short stacking energy: -16.507 Base-Backbone interact. energy: -0.469 local terms energy: -28.470794 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -8.951 flat angles P-C4'-P energy: -4.882 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: 5 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -56.635839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.635839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.635839 (E_RNA) where: Base-Base interactions energy: -31.719 where: short stacking energy: -31.719 Base-Backbone interact. energy: -0.000 local terms energy: -24.916048 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -2.462 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -7.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -51.826442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.826442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.826442 (E_RNA) where: Base-Base interactions energy: -22.959 where: short stacking energy: -22.959 Base-Backbone interact. energy: -0.000 local terms energy: -28.867598 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -2.364 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: 1, replica: 9 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -102.249891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.249891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.249891 (E_RNA) where: Base-Base interactions energy: -65.746 where: short stacking energy: -32.868 Base-Backbone interact. energy: -1.183 local terms energy: -35.321239 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -6.432 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -109.068259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.068259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.068259 (E_RNA) where: Base-Base interactions energy: -69.831 where: short stacking energy: -34.062 Base-Backbone interact. energy: -1.728 local terms energy: -37.509099 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -6.031 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: 3, replica: 4 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -109.658896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.658896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.658896 (E_RNA) where: Base-Base interactions energy: -71.307 where: short stacking energy: -35.962 Base-Backbone interact. energy: -1.295 local terms energy: -37.056647 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -7.981 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -7.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -96.736433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.736433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.736433 (E_RNA) where: Base-Base interactions energy: -66.877 where: short stacking energy: -26.237 Base-Backbone interact. energy: -0.020 local terms energy: -29.839822 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -8.642 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -5.479 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: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -81.860955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.860955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.860955 (E_RNA) where: Base-Base interactions energy: -53.801 where: short stacking energy: -25.648 Base-Backbone interact. energy: -0.109 local terms energy: -27.950896 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -3.640 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: 6, replica: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -79.267547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.267547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.267547 (E_RNA) where: Base-Base interactions energy: -38.984 where: short stacking energy: -38.984 Base-Backbone interact. energy: -0.000 local terms energy: -40.283354 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -11.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -88.577777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.577777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.577777 (E_RNA) where: Base-Base interactions energy: -56.819 where: short stacking energy: -20.975 Base-Backbone interact. energy: -1.257 local terms energy: -30.501150 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -3.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -60.075451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.075451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.075451 (E_RNA) where: Base-Base interactions energy: -37.107 where: short stacking energy: -7.197 Base-Backbone interact. energy: 0.239 local terms energy: -23.207482 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -3.515 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: 9, replica: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -50.570158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.570158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.570158 (E_RNA) where: Base-Base interactions energy: -19.214 where: short stacking energy: -19.214 Base-Backbone interact. energy: -0.005 local terms energy: -31.351299 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -7.302 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -57.458352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.458352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.458352 (E_RNA) where: Base-Base interactions energy: -26.752 where: short stacking energy: -23.940 Base-Backbone interact. energy: -0.001 local terms energy: -30.705446 where: bonds (distance) C4'-P energy: -3.886 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -6.645 tors. eta vs tors. theta energy: -3.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -106.555336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.555336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.555336 (E_RNA) where: Base-Base interactions energy: -69.351 where: short stacking energy: -33.890 Base-Backbone interact. energy: 0.036 local terms energy: -37.240299 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -6.382 tors. eta vs tors. theta energy: -7.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -109.645830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.645830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.645830 (E_RNA) where: Base-Base interactions energy: -77.788 where: short stacking energy: -32.250 Base-Backbone interact. energy: -0.001 local terms energy: -31.857749 where: bonds (distance) C4'-P energy: -7.576 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -1.698 tors. eta vs tors. theta energy: -6.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -112.234250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.234250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.234250 (E_RNA) where: Base-Base interactions energy: -73.594 where: short stacking energy: -33.265 Base-Backbone interact. energy: -1.711 local terms energy: -36.928824 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -4.647 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: 4, replica: 3 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -81.431438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.431438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.431438 (E_RNA) where: Base-Base interactions energy: -53.053 where: short stacking energy: -26.020 Base-Backbone interact. energy: -0.062 local terms energy: -28.316784 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -102.991712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.991712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.991712 (E_RNA) where: Base-Base interactions energy: -68.668 where: short stacking energy: -33.280 Base-Backbone interact. energy: 0.289 local terms energy: -34.612953 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -6.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -95.450433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.450433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.450433 (E_RNA) where: Base-Base interactions energy: -60.092 where: short stacking energy: -26.965 Base-Backbone interact. energy: -0.032 local terms energy: -35.325606 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.240 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -5.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -60.896799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.896799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.896799 (E_RNA) where: Base-Base interactions energy: -30.111 where: short stacking energy: -23.854 Base-Backbone interact. energy: -0.004 local terms energy: -30.782444 where: bonds (distance) C4'-P energy: -5.539 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -6.768 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: 8, replica: 2 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -60.927319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.927319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.927319 (E_RNA) where: Base-Base interactions energy: -38.386 where: short stacking energy: -13.823 Base-Backbone interact. energy: -0.518 local terms energy: -22.022989 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -56.053691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.053691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.053691 (E_RNA) where: Base-Base interactions energy: -30.330 where: short stacking energy: -17.942 Base-Backbone interact. energy: -0.078 local terms energy: -25.645762 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.676 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -4.800 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: 5 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -53.569644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.569644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.569644 (E_RNA) where: Base-Base interactions energy: -26.568 where: short stacking energy: -26.568 Base-Backbone interact. energy: -0.001 local terms energy: -27.000415 where: bonds (distance) C4'-P energy: -1.860 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -6.583 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) out arg RESULTS//1/1-9b633f5c_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -108.662219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.662219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.662219 (E_RNA) where: Base-Base interactions energy: -71.279 where: short stacking energy: -36.032 Base-Backbone interact. energy: -0.009 local terms energy: -37.374377 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -7.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -107.897959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.897959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.897959 (E_RNA) where: Base-Base interactions energy: -70.132 where: short stacking energy: -35.165 Base-Backbone interact. energy: -1.829 local terms energy: -35.937243 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -7.377 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: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -84.211925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.211925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.211925 (E_RNA) where: Base-Base interactions energy: -50.244 where: short stacking energy: -29.121 Base-Backbone interact. energy: -0.004 local terms energy: -33.963489 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -2.237 tors. eta vs tors. theta energy: -7.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -105.233129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.233129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.233129 (E_RNA) where: Base-Base interactions energy: -69.277 where: short stacking energy: -34.306 Base-Backbone interact. energy: -0.397 local terms energy: -35.559339 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -6.617 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -6.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -61.053980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.053980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.053980 (E_RNA) where: Base-Base interactions energy: -27.553 where: short stacking energy: -27.553 Base-Backbone interact. energy: -0.185 local terms energy: -33.315607 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -90.912362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.912362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.912362 (E_RNA) where: Base-Base interactions energy: -56.582 where: short stacking energy: -25.858 Base-Backbone interact. energy: -0.100 local terms energy: -34.230532 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -7.742 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -7.701 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: 2 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -53.685327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.685327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.685327 (E_RNA) where: Base-Base interactions energy: -22.378 where: short stacking energy: -22.378 Base-Backbone interact. energy: -0.007 local terms energy: -31.299792 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -5.772 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -65.374927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.374927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.374927 (E_RNA) where: Base-Base interactions energy: -37.364 where: short stacking energy: -20.971 Base-Backbone interact. energy: -0.004 local terms energy: -28.007435 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -2.025 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: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -51.001132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.001132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.001132 (E_RNA) where: Base-Base interactions energy: -24.359 where: short stacking energy: -23.390 Base-Backbone interact. energy: -0.063 local terms energy: -26.579509 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -54.918170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.918170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.918170 (E_RNA) where: Base-Base interactions energy: -26.356 where: short stacking energy: -13.269 Base-Backbone interact. energy: -0.113 local terms energy: -28.449211 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -3.103 tors. eta vs tors. theta energy: -1.731 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -110.341746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.341746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.341746 (E_RNA) where: Base-Base interactions energy: -74.682 where: short stacking energy: -37.683 Base-Backbone interact. energy: -1.893 local terms energy: -33.767251 where: bonds (distance) C4'-P energy: -6.117 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -6.599 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -7.552 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: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -87.083219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.083219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.083219 (E_RNA) where: Base-Base interactions energy: -55.442 where: short stacking energy: -24.104 Base-Backbone interact. energy: -0.013 local terms energy: -31.628965 where: bonds (distance) C4'-P energy: -5.577 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -5.225 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: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -97.402091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.402091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.402091 (E_RNA) where: Base-Base interactions energy: -65.230 where: short stacking energy: -28.879 Base-Backbone interact. energy: -0.962 local terms energy: -31.209969 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -2.353 tors. eta vs tors. theta energy: -5.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -107.412795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.412795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.412795 (E_RNA) where: Base-Base interactions energy: -68.781 where: short stacking energy: -34.949 Base-Backbone interact. energy: -1.816 local terms energy: -36.815704 where: bonds (distance) C4'-P energy: -6.582 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -8.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -57.808970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.808970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.808970 (E_RNA) where: Base-Base interactions energy: -35.126 where: short stacking energy: -20.239 Base-Backbone interact. energy: -0.048 local terms energy: -22.635235 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -0.608 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: 6, replica: 10 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -96.369375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.369375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.369375 (E_RNA) where: Base-Base interactions energy: -63.378 where: short stacking energy: -25.607 Base-Backbone interact. energy: -1.283 local terms energy: -31.708176 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -3.389 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: 7, replica: 2 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -87.356421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.356421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.356421 (E_RNA) where: Base-Base interactions energy: -57.125 where: short stacking energy: -22.842 Base-Backbone interact. energy: -0.445 local terms energy: -29.786482 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.474 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -4.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -51.948533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.948533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.948533 (E_RNA) where: Base-Base interactions energy: -24.447 where: short stacking energy: -21.118 Base-Backbone interact. energy: 0.150 local terms energy: -27.650815 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.922 flat angles C4'-P-C4' energy: -4.692 flat angles P-C4'-P energy: -3.264 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: 9, replica: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -96.830538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.830538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.830538 (E_RNA) where: Base-Base interactions energy: -64.999 where: short stacking energy: -31.629 Base-Backbone interact. energy: -0.010 local terms energy: -31.821572 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -2.696 tors. eta vs tors. theta energy: -6.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -48.163968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.163968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.163968 (E_RNA) where: Base-Base interactions energy: -22.622 where: short stacking energy: -17.232 Base-Backbone interact. energy: -0.257 local terms energy: -25.285156 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: 0.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -109.764006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.764006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.764006 (E_RNA) where: Base-Base interactions energy: -71.174 where: short stacking energy: -36.152 Base-Backbone interact. energy: -1.254 local terms energy: -37.336386 where: bonds (distance) C4'-P energy: -6.233 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -7.551 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: 2, replica: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -89.296512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.296512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.296512 (E_RNA) where: Base-Base interactions energy: -53.597 where: short stacking energy: -32.309 Base-Backbone interact. energy: -0.678 local terms energy: -35.021837 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -9.143 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -6.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -105.347886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.347886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.347886 (E_RNA) where: Base-Base interactions energy: -68.916 where: short stacking energy: -37.381 Base-Backbone interact. energy: -0.413 local terms energy: -36.018693 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -8.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -93.801361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.801361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.801361 (E_RNA) where: Base-Base interactions energy: -58.919 where: short stacking energy: -26.840 Base-Backbone interact. energy: -0.807 local terms energy: -34.075987 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -4.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -104.382276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.382276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.382276 (E_RNA) where: Base-Base interactions energy: -69.605 where: short stacking energy: -33.926 Base-Backbone interact. energy: -0.013 local terms energy: -34.764437 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -7.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -65.736294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.736294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.736294 (E_RNA) where: Base-Base interactions energy: -34.709 where: short stacking energy: -20.890 Base-Backbone interact. energy: -0.173 local terms energy: -30.855200 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -70.045345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.045345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.045345 (E_RNA) where: Base-Base interactions energy: -41.972 where: short stacking energy: -20.993 Base-Backbone interact. energy: -0.002 local terms energy: -28.071783 where: bonds (distance) C4'-P energy: -2.090 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.075 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -6.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -86.418482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.418482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.418482 (E_RNA) where: Base-Base interactions energy: -55.155 where: short stacking energy: -29.962 Base-Backbone interact. energy: -0.012 local terms energy: -31.250658 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -3.424 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: 5 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -97.711106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.711106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.711106 (E_RNA) where: Base-Base interactions energy: -65.746 where: short stacking energy: -26.273 Base-Backbone interact. energy: -0.759 local terms energy: -31.205993 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -48.147114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.147114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.147114 (E_RNA) where: Base-Base interactions energy: -25.729 where: short stacking energy: -25.729 Base-Backbone interact. energy: -0.115 local terms energy: -22.303336 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -2.471 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -109.375197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.375197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.375197 (E_RNA) where: Base-Base interactions energy: -70.050 where: short stacking energy: -33.746 Base-Backbone interact. energy: -0.739 local terms energy: -38.585940 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -8.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -110.361407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.361407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.361407 (E_RNA) where: Base-Base interactions energy: -74.938 where: short stacking energy: -33.653 Base-Backbone interact. energy: -0.156 local terms energy: -35.267893 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -6.896 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: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -86.052580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.052580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.052580 (E_RNA) where: Base-Base interactions energy: -50.397 where: short stacking energy: -28.799 Base-Backbone interact. energy: -0.001 local terms energy: -35.654012 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -5.498 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: 4, replica: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -106.540752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.540752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.540752 (E_RNA) where: Base-Base interactions energy: -69.259 where: short stacking energy: -34.799 Base-Backbone interact. energy: -0.081 local terms energy: -37.200562 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -6.399 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: 5, replica: 10 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -95.664694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.664694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.664694 (E_RNA) where: Base-Base interactions energy: -67.302 where: short stacking energy: -29.533 Base-Backbone interact. energy: -0.152 local terms energy: -28.209856 where: bonds (distance) C4'-P energy: -2.901 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -2.925 tors. eta vs tors. theta energy: -5.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -57.847709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.847709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.847709 (E_RNA) where: Base-Base interactions energy: -26.590 where: short stacking energy: -26.590 Base-Backbone interact. energy: -0.126 local terms energy: -31.130963 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -4.472 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: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -51.176937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.176937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.176937 (E_RNA) where: Base-Base interactions energy: -20.964 where: short stacking energy: -19.218 Base-Backbone interact. energy: -0.095 local terms energy: -30.118038 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.682 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -51.090618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.090618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.090618 (E_RNA) where: Base-Base interactions energy: -21.211 where: short stacking energy: -21.211 Base-Backbone interact. energy: -0.087 local terms energy: -29.792168 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -5.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -75.231010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.231010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.231010 (E_RNA) where: Base-Base interactions energy: -47.820 where: short stacking energy: -20.073 Base-Backbone interact. energy: -0.035 local terms energy: -27.376015 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.015 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: 3.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -51.941438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.941438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.941438 (E_RNA) where: Base-Base interactions energy: -21.464 where: short stacking energy: -21.464 Base-Backbone interact. energy: -0.003 local terms energy: -30.473997 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -5.973 tors. eta vs tors. theta energy: -0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -109.409628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.409628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.409628 (E_RNA) where: Base-Base interactions energy: -70.484 where: short stacking energy: -34.894 Base-Backbone interact. energy: -1.144 local terms energy: -37.781989 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.266 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -7.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -107.252176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.252176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.252176 (E_RNA) where: Base-Base interactions energy: -72.232 where: short stacking energy: -35.788 Base-Backbone interact. energy: -1.130 local terms energy: -33.890529 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -5.982 tors. eta vs tors. theta energy: -5.355 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: 9 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -110.945357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.945357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.945357 (E_RNA) where: Base-Base interactions energy: -72.960 where: short stacking energy: -37.611 Base-Backbone interact. energy: -1.016 local terms energy: -36.968693 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -6.940 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: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -77.251871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.251871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.251871 (E_RNA) where: Base-Base interactions energy: -41.847 where: short stacking energy: -26.818 Base-Backbone interact. energy: -0.003 local terms energy: -35.401468 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.651 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -7.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -98.564283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.564283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.564283 (E_RNA) where: Base-Base interactions energy: -63.517 where: short stacking energy: -28.518 Base-Backbone interact. energy: -0.097 local terms energy: -34.951106 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -5.669 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: 412 Temperature: 1.150000 Total energy: -60.068587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.068587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.068587 (E_RNA) where: Base-Base interactions energy: -26.183 where: short stacking energy: -26.183 Base-Backbone interact. energy: -0.001 local terms energy: -33.885425 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -8.128 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: -7.130 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: 7, replica: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -67.607955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.607955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.607955 (E_RNA) where: Base-Base interactions energy: -37.705 where: short stacking energy: -27.827 Base-Backbone interact. energy: -0.119 local terms energy: -29.783001 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -3.138 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: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -61.416120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.416120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.416120 (E_RNA) where: Base-Base interactions energy: -30.137 where: short stacking energy: -21.465 Base-Backbone interact. energy: -0.000 local terms energy: -31.278686 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -65.600087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.600087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.600087 (E_RNA) where: Base-Base interactions energy: -43.722 where: short stacking energy: -16.822 Base-Backbone interact. energy: 0.053 local terms energy: -21.930690 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -5.050 flat angles C4'-P-C4' energy: -2.546 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -1.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -49.454067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.454067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.454067 (E_RNA) where: Base-Base interactions energy: -20.709 where: short stacking energy: -19.465 Base-Backbone interact. energy: -0.080 local terms energy: -28.664943 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -109.206052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.206052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.206052 (E_RNA) where: Base-Base interactions energy: -70.691 where: short stacking energy: -36.392 Base-Backbone interact. energy: -1.994 local terms energy: -36.520693 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -7.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -102.690142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.690142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.690142 (E_RNA) where: Base-Base interactions energy: -68.355 where: short stacking energy: -34.550 Base-Backbone interact. energy: -0.229 local terms energy: -34.106297 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -7.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -107.931478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.931478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.931478 (E_RNA) where: Base-Base interactions energy: -73.814 where: short stacking energy: -36.061 Base-Backbone interact. energy: -0.597 local terms energy: -33.521065 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -8.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -106.109394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.109394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.109394 (E_RNA) where: Base-Base interactions energy: -78.004 where: short stacking energy: -33.163 Base-Backbone interact. energy: 0.336 local terms energy: -28.441105 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -0.719 tors. eta vs tors. theta energy: -7.705 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: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -62.231320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.231320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.231320 (E_RNA) where: Base-Base interactions energy: -33.602 where: short stacking energy: -33.602 Base-Backbone interact. energy: -0.001 local terms energy: -28.628462 where: bonds (distance) C4'-P energy: -4.594 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -1.562 tors. eta vs tors. theta energy: -8.399 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: 7 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -62.285606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.285606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.285606 (E_RNA) where: Base-Base interactions energy: -34.280 where: short stacking energy: -21.750 Base-Backbone interact. energy: 1.489 local terms energy: -29.495323 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -5.196 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -7.050 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: 7, replica: 5 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -66.701987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.701987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.701987 (E_RNA) where: Base-Base interactions energy: -28.732 where: short stacking energy: -28.732 Base-Backbone interact. energy: -0.000 local terms energy: -37.969969 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.997 flat angles P-C4'-P energy: -4.747 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: 8, replica: 2 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -79.875238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.875238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.875238 (E_RNA) where: Base-Base interactions energy: -56.673 where: short stacking energy: -26.410 Base-Backbone interact. energy: -0.060 local terms energy: -23.141723 where: bonds (distance) C4'-P energy: -4.728 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -0.352 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -51.633833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.633833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.633833 (E_RNA) where: Base-Base interactions energy: -27.139 where: short stacking energy: -21.731 Base-Backbone interact. energy: 0.242 local terms energy: -24.736396 where: bonds (distance) C4'-P energy: -3.953 bonds (distance) P-C4' energy: -6.968 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -50.996201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.996201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.996201 (E_RNA) where: Base-Base interactions energy: -24.831 where: short stacking energy: -24.831 Base-Backbone interact. energy: -0.000 local terms energy: -26.164926 where: bonds (distance) C4'-P energy: -4.326 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -4.348 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -4.988 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -109.540399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.540399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.540399 (E_RNA) where: Base-Base interactions energy: -72.330 where: short stacking energy: -35.496 Base-Backbone interact. energy: -1.502 local terms energy: -35.708504 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -8.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -109.012734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.012734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.012734 (E_RNA) where: Base-Base interactions energy: -70.347 where: short stacking energy: -34.299 Base-Backbone interact. energy: -0.981 local terms energy: -37.684491 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -6.792 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: 10 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -104.065412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.065412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.065412 (E_RNA) where: Base-Base interactions energy: -68.390 where: short stacking energy: -32.079 Base-Backbone interact. energy: -1.287 local terms energy: -34.388410 where: bonds (distance) C4'-P energy: -5.622 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -6.284 tors. eta vs tors. theta energy: -7.448 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: 4, replica: 4 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -95.485316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.485316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.485316 (E_RNA) where: Base-Base interactions energy: -62.396 where: short stacking energy: -29.778 Base-Backbone interact. energy: -1.801 local terms energy: -31.288507 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -69.310480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.310480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.310480 (E_RNA) where: Base-Base interactions energy: -41.340 where: short stacking energy: -22.429 Base-Backbone interact. energy: -0.230 local terms energy: -27.740783 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -4.515 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: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -63.292577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.292577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.292577 (E_RNA) where: Base-Base interactions energy: -28.642 where: short stacking energy: -28.642 Base-Backbone interact. energy: -0.000 local terms energy: -34.650967 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -8.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -91.499412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.499412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.499412 (E_RNA) where: Base-Base interactions energy: -64.327 where: short stacking energy: -29.004 Base-Backbone interact. energy: 0.020 local terms energy: -27.193012 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -5.851 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: 414 Temperature: 1.250000 Total energy: -71.895318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.895318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.895318 (E_RNA) where: Base-Base interactions energy: -39.327 where: short stacking energy: -17.039 Base-Backbone interact. energy: -0.919 local terms energy: -31.649040 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -5.799 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: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -56.219015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.219015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.219015 (E_RNA) where: Base-Base interactions energy: -24.041 where: short stacking energy: -24.041 Base-Backbone interact. energy: -0.070 local terms energy: -32.107599 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -6.993 tors. eta vs tors. theta energy: -3.673 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: 414 Temperature: 1.350000 Total energy: -51.298937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.298937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.298937 (E_RNA) where: Base-Base interactions energy: -25.422 where: short stacking energy: -25.422 Base-Backbone interact. energy: -0.002 local terms energy: -25.874970 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -3.450 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -113.820290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.820290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.820290 (E_RNA) where: Base-Base interactions energy: -73.143 where: short stacking energy: -37.670 Base-Backbone interact. energy: -1.005 local terms energy: -39.672352 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.258 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -8.027 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: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -107.455601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.455601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.455601 (E_RNA) where: Base-Base interactions energy: -72.725 where: short stacking energy: -35.620 Base-Backbone interact. energy: -1.466 local terms energy: -33.264962 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -6.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -112.888660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.888660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.888660 (E_RNA) where: Base-Base interactions energy: -72.185 where: short stacking energy: -35.854 Base-Backbone interact. energy: -1.545 local terms energy: -39.158492 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -7.191 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: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -100.183853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.183853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.183853 (E_RNA) where: Base-Base interactions energy: -66.824 where: short stacking energy: -34.873 Base-Backbone interact. energy: -0.962 local terms energy: -32.398255 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -8.114 flat angles P-C4'-P energy: -3.297 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: 5, replica: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -65.496995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.496995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.496995 (E_RNA) where: Base-Base interactions energy: -32.701 where: short stacking energy: -32.701 Base-Backbone interact. energy: -0.083 local terms energy: -32.712683 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -6.408 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -5.792 tors. eta vs tors. theta energy: -5.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -72.519705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.519705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.519705 (E_RNA) where: Base-Base interactions energy: -37.135 where: short stacking energy: -37.135 Base-Backbone interact. energy: -0.020 local terms energy: -35.364669 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -4.874 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: 7, replica: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -53.436717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.436717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.436717 (E_RNA) where: Base-Base interactions energy: -23.630 where: short stacking energy: -12.886 Base-Backbone interact. energy: -0.061 local terms energy: -29.745567 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -8.767 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -1.365 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: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -67.898503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.898503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.898503 (E_RNA) where: Base-Base interactions energy: -30.295 where: short stacking energy: -30.295 Base-Backbone interact. energy: -0.000 local terms energy: -37.603696 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -6.262 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: 9, replica: 5 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -56.914664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.914664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.914664 (E_RNA) where: Base-Base interactions energy: -25.226 where: short stacking energy: -20.807 Base-Backbone interact. energy: -0.007 local terms energy: -31.682269 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -47.817965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.817965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.817965 (E_RNA) where: Base-Base interactions energy: -16.869 where: short stacking energy: -16.869 Base-Backbone interact. energy: -0.072 local terms energy: -30.876819 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.854 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -1.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -113.395758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.395758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.395758 (E_RNA) where: Base-Base interactions energy: -73.990 where: short stacking energy: -38.016 Base-Backbone interact. energy: -0.038 local terms energy: -39.368309 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -7.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -111.499929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.499929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.499929 (E_RNA) where: Base-Base interactions energy: -70.637 where: short stacking energy: -36.079 Base-Backbone interact. energy: -2.643 local terms energy: -38.220030 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: -7.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -105.699949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.699949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.699949 (E_RNA) where: Base-Base interactions energy: -75.312 where: short stacking energy: -34.205 Base-Backbone interact. energy: -0.051 local terms energy: -30.337383 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -7.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -104.563904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.563904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.563904 (E_RNA) where: Base-Base interactions energy: -69.036 where: short stacking energy: -34.791 Base-Backbone interact. energy: -0.718 local terms energy: -34.810251 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -8.501 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -67.263641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.263641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.263641 (E_RNA) where: Base-Base interactions energy: -32.815 where: short stacking energy: -32.815 Base-Backbone interact. energy: -0.000 local terms energy: -34.448622 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -7.117 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: 6, replica: 7 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -62.270372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.270372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.270372 (E_RNA) where: Base-Base interactions energy: -25.822 where: short stacking energy: -25.822 Base-Backbone interact. energy: -0.098 local terms energy: -36.350461 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.480 flat angles C4'-P-C4' energy: -8.506 flat angles P-C4'-P energy: -4.503 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: 7, replica: 3 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -61.011422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.011422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.011422 (E_RNA) where: Base-Base interactions energy: -41.907 where: short stacking energy: -16.469 Base-Backbone interact. energy: -0.213 local terms energy: -18.891951 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -1.079 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: 0.200 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: 8, replica: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -59.355370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.355370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.355370 (E_RNA) where: Base-Base interactions energy: -35.119 where: short stacking energy: -17.417 Base-Backbone interact. energy: -0.028 local terms energy: -24.208171 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: 1.611 tors. eta vs tors. theta energy: -5.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -50.027498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.027498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.027498 (E_RNA) where: Base-Base interactions energy: -19.830 where: short stacking energy: -19.830 Base-Backbone interact. energy: 0.223 local terms energy: -30.421399 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -60.930270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.930270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.930270 (E_RNA) where: Base-Base interactions energy: -31.851 where: short stacking energy: -12.946 Base-Backbone interact. energy: -0.452 local terms energy: -28.626839 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -106.288937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.288937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.288937 (E_RNA) where: Base-Base interactions energy: -70.093 where: short stacking energy: -34.459 Base-Backbone interact. energy: -0.001 local terms energy: -36.194879 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.287 flat angles P-C4'-P energy: -6.026 tors. eta vs tors. theta energy: -7.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -109.879211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.879211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.879211 (E_RNA) where: Base-Base interactions energy: -76.540 where: short stacking energy: -33.347 Base-Backbone interact. energy: 0.237 local terms energy: -33.576018 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.641 flat angles P-C4'-P energy: -2.932 tors. eta vs tors. theta energy: -5.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -105.849925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.849925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.849925 (E_RNA) where: Base-Base interactions energy: -73.083 where: short stacking energy: -36.718 Base-Backbone interact. energy: -1.270 local terms energy: -31.496496 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -4.998 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: 4, replica: 2 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -69.280378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.280378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.280378 (E_RNA) where: Base-Base interactions energy: -35.802 where: short stacking energy: -35.802 Base-Backbone interact. energy: -0.001 local terms energy: -33.477692 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -5.267 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: 5, replica: 9 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -107.774712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.774712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.774712 (E_RNA) where: Base-Base interactions energy: -73.886 where: short stacking energy: -32.440 Base-Backbone interact. energy: -0.010 local terms energy: -33.877760 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.775 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -5.769 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: 6, replica: 3 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -57.901051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.901051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.901051 (E_RNA) where: Base-Base interactions energy: -28.826 where: short stacking energy: -28.826 Base-Backbone interact. energy: -0.081 local terms energy: -28.994030 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -7.178 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -75.497459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.497459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.497459 (E_RNA) where: Base-Base interactions energy: -43.751 where: short stacking energy: -31.061 Base-Backbone interact. energy: -0.028 local terms energy: -31.718059 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -8.240 flat angles C4'-P-C4' energy: -8.941 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -5.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -53.367262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.367262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.367262 (E_RNA) where: Base-Base interactions energy: -22.980 where: short stacking energy: -22.980 Base-Backbone interact. energy: -0.000 local terms energy: -30.387323 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -5.465 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: 1 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -53.356960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.356960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.356960 (E_RNA) where: Base-Base interactions energy: -26.359 where: short stacking energy: -26.359 Base-Backbone interact. energy: -0.001 local terms energy: -26.996649 where: bonds (distance) C4'-P energy: -5.294 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -56.395039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.395039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.395039 (E_RNA) where: Base-Base interactions energy: -27.721 where: short stacking energy: -13.020 Base-Backbone interact. energy: -0.135 local terms energy: -28.538916 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -1.676 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -108.784850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.784850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.784850 (E_RNA) where: Base-Base interactions energy: -72.089 where: short stacking energy: -35.410 Base-Backbone interact. energy: -0.011 local terms energy: -36.685521 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -2.979 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: 2, replica: 8 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -112.847727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.847727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.847727 (E_RNA) where: Base-Base interactions energy: -85.674 where: short stacking energy: -34.571 Base-Backbone interact. energy: -0.071 local terms energy: -27.103032 where: bonds (distance) C4'-P energy: -4.364 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -1.137 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -107.001914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.001914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.001914 (E_RNA) where: Base-Base interactions energy: -69.970 where: short stacking energy: -35.301 Base-Backbone interact. energy: -0.046 local terms energy: -36.985500 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -7.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -73.405769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.405769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.405769 (E_RNA) where: Base-Base interactions energy: -36.697 where: short stacking energy: -36.697 Base-Backbone interact. energy: -0.001 local terms energy: -36.707451 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -3.493 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: 5, replica: 9 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -101.478853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.478853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.478853 (E_RNA) where: Base-Base interactions energy: -65.326 where: short stacking energy: -33.865 Base-Backbone interact. energy: -1.379 local terms energy: -34.773759 where: bonds (distance) C4'-P energy: -7.463 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.331 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -6.705 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: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -64.399643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.399643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.399643 (E_RNA) where: Base-Base interactions energy: -28.071 where: short stacking energy: -28.071 Base-Backbone interact. energy: -0.002 local terms energy: -36.326066 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: -9.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -57.453518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.453518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.453518 (E_RNA) where: Base-Base interactions energy: -26.203 where: short stacking energy: -26.203 Base-Backbone interact. energy: -0.089 local terms energy: -31.160703 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -55.884997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.884997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.884997 (E_RNA) where: Base-Base interactions energy: -26.366 where: short stacking energy: -26.366 Base-Backbone interact. energy: -0.032 local terms energy: -29.486778 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.818 flat angles P-C4'-P energy: -6.035 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -54.842566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.842566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.842566 (E_RNA) where: Base-Base interactions energy: -35.388 where: short stacking energy: -11.834 Base-Backbone interact. energy: -0.115 local terms energy: -19.339988 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.667 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: 1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -52.043755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.043755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.043755 (E_RNA) where: Base-Base interactions energy: -24.209 where: short stacking energy: -20.424 Base-Backbone interact. energy: -0.028 local terms energy: -27.806857 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -0.967 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -113.777337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.777337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.777337 (E_RNA) where: Base-Base interactions energy: -80.371 where: short stacking energy: -35.343 Base-Backbone interact. energy: -0.038 local terms energy: -33.368098 where: bonds (distance) C4'-P energy: -7.059 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -7.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -110.032370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.032370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.032370 (E_RNA) where: Base-Base interactions energy: -79.498 where: short stacking energy: -33.989 Base-Backbone interact. energy: -0.116 local terms energy: -30.419050 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -6.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -114.952086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.952086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.952086 (E_RNA) where: Base-Base interactions energy: -85.454 where: short stacking energy: -35.435 Base-Backbone interact. energy: -0.008 local terms energy: -29.490107 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -1.120 tors. eta vs tors. theta energy: -6.694 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: 9 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -105.689103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.689103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.689103 (E_RNA) where: Base-Base interactions energy: -68.559 where: short stacking energy: -35.867 Base-Backbone interact. energy: -1.082 local terms energy: -36.047805 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -9.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -69.947828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.947828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.947828 (E_RNA) where: Base-Base interactions energy: -39.724 where: short stacking energy: -19.461 Base-Backbone interact. energy: -0.073 local terms energy: -30.150868 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -58.720845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.720845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.720845 (E_RNA) where: Base-Base interactions energy: -33.912 where: short stacking energy: -15.769 Base-Backbone interact. energy: -0.116 local terms energy: -24.692670 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -4.854 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: 7, replica: 3 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -68.118400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.118400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.118400 (E_RNA) where: Base-Base interactions energy: -36.289 where: short stacking energy: -22.080 Base-Backbone interact. energy: -0.001 local terms energy: -31.828450 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -52.626481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.626481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.626481 (E_RNA) where: Base-Base interactions energy: -32.964 where: short stacking energy: -20.558 Base-Backbone interact. energy: 0.429 local terms energy: -20.091743 where: bonds (distance) C4'-P energy: -4.670 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -55.999778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.999778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.999778 (E_RNA) where: Base-Base interactions energy: -33.819 where: short stacking energy: -11.936 Base-Backbone interact. energy: -0.088 local terms energy: -22.092849 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -1.619 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: 1 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -43.985995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.985995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.985995 (E_RNA) where: Base-Base interactions energy: -18.121 where: short stacking energy: -17.691 Base-Backbone interact. energy: -0.131 local terms energy: -25.734085 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: 2.077 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -107.097920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.097920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.097920 (E_RNA) where: Base-Base interactions energy: -72.408 where: short stacking energy: -33.624 Base-Backbone interact. energy: -0.272 local terms energy: -34.418413 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.652 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -7.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -116.033910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.033910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.033910 (E_RNA) where: Base-Base interactions energy: -81.414 where: short stacking energy: -33.174 Base-Backbone interact. energy: -0.006 local terms energy: -34.613787 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -1.955 tors. eta vs tors. theta energy: -7.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -108.862523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.862523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.862523 (E_RNA) where: Base-Base interactions energy: -78.489 where: short stacking energy: -31.510 Base-Backbone interact. energy: -0.004 local terms energy: -30.369492 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: 0.068 tors. eta vs tors. theta energy: -7.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -106.553191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.553191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.553191 (E_RNA) where: Base-Base interactions energy: -70.175 where: short stacking energy: -35.020 Base-Backbone interact. energy: -0.008 local terms energy: -36.370341 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -5.396 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: 5, replica: 6 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -60.955830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.955830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.955830 (E_RNA) where: Base-Base interactions energy: -32.398 where: short stacking energy: -32.398 Base-Backbone interact. energy: -0.153 local terms energy: -28.404030 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -4.787 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -3.045 tors. eta vs tors. theta energy: -5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -66.845362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.845362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.845362 (E_RNA) where: Base-Base interactions energy: -32.383 where: short stacking energy: -32.383 Base-Backbone interact. energy: -0.000 local terms energy: -34.462395 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -7.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -62.755062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.755062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.755062 (E_RNA) where: Base-Base interactions energy: -38.949 where: short stacking energy: -21.676 Base-Backbone interact. energy: -0.139 local terms energy: -23.667602 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.560 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -1.280 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: 8, replica: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -54.902235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.902235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.902235 (E_RNA) where: Base-Base interactions energy: -31.689 where: short stacking energy: -14.183 Base-Backbone interact. energy: -0.007 local terms energy: -23.206394 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -1.544 tors. eta vs tors. theta energy: 0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -85.637385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.637385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.637385 (E_RNA) where: Base-Base interactions energy: -57.193 where: short stacking energy: -29.779 Base-Backbone interact. energy: -0.005 local terms energy: -28.440070 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -5.380 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -3.784 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: 10, replica: 1 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -51.360274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.360274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.360274 (E_RNA) where: Base-Base interactions energy: -25.590 where: short stacking energy: -25.590 Base-Backbone interact. energy: -0.000 local terms energy: -25.770189 where: bonds (distance) C4'-P energy: -3.174 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -5.129 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -108.170181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.170181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.170181 (E_RNA) where: Base-Base interactions energy: -69.241 where: short stacking energy: -32.491 Base-Backbone interact. energy: -0.487 local terms energy: -38.441317 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -7.794 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: 9 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -106.395966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.395966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.395966 (E_RNA) where: Base-Base interactions energy: -70.950 where: short stacking energy: -35.663 Base-Backbone interact. energy: -0.020 local terms energy: -35.426399 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -5.830 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: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -114.683809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.683809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.683809 (E_RNA) where: Base-Base interactions energy: -84.089 where: short stacking energy: -33.326 Base-Backbone interact. energy: -0.016 local terms energy: -30.578251 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -2.034 tors. eta vs tors. theta energy: -6.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -70.703927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.703927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.703927 (E_RNA) where: Base-Base interactions energy: -33.524 where: short stacking energy: -33.524 Base-Backbone interact. energy: -0.000 local terms energy: -37.180133 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.149 flat angles P-C4'-P energy: -5.964 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: 5, replica: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -90.226315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.226315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.226315 (E_RNA) where: Base-Base interactions energy: -56.705 where: short stacking energy: -25.294 Base-Backbone interact. energy: -0.008 local terms energy: -33.513157 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -4.200 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: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -52.047834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.047834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.047834 (E_RNA) where: Base-Base interactions energy: -20.277 where: short stacking energy: -23.277 Base-Backbone interact. energy: -0.039 local terms energy: -31.732525 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -51.618107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.618107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.618107 (E_RNA) where: Base-Base interactions energy: -20.668 where: short stacking energy: -12.111 Base-Backbone interact. energy: -0.006 local terms energy: -30.943507 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -3.480 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: 8, replica: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -96.151950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.151950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.151950 (E_RNA) where: Base-Base interactions energy: -64.941 where: short stacking energy: -30.247 Base-Backbone interact. energy: -0.015 local terms energy: -31.195590 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -4.597 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -8.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -49.022046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.022046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.022046 (E_RNA) where: Base-Base interactions energy: -22.859 where: short stacking energy: -13.239 Base-Backbone interact. energy: -0.019 local terms energy: -26.143463 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -6.578 tors. eta vs tors. theta energy: 1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -58.339538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.339538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.339538 (E_RNA) where: Base-Base interactions energy: -33.622 where: short stacking energy: -21.820 Base-Backbone interact. energy: -0.018 local terms energy: -24.699618 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -3.091 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 9 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -106.758008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.758008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.758008 (E_RNA) where: Base-Base interactions energy: -70.823 where: short stacking energy: -33.652 Base-Backbone interact. energy: -0.003 local terms energy: -35.932658 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -5.965 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: 10 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -106.853985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.853985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.853985 (E_RNA) where: Base-Base interactions energy: -71.428 where: short stacking energy: -34.680 Base-Backbone interact. energy: -0.404 local terms energy: -35.021573 where: bonds (distance) C4'-P energy: -6.548 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -109.150446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.150446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.150446 (E_RNA) where: Base-Base interactions energy: -72.246 where: short stacking energy: -35.533 Base-Backbone interact. energy: -0.012 local terms energy: -36.892281 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.992 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -6.075 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: 6 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -85.224812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.224812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.224812 (E_RNA) where: Base-Base interactions energy: -46.330 where: short stacking energy: -46.330 Base-Backbone interact. energy: -0.000 local terms energy: -38.895146 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -12.285 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: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -88.186575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.186575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.186575 (E_RNA) where: Base-Base interactions energy: -56.469 where: short stacking energy: -28.605 Base-Backbone interact. energy: -0.000 local terms energy: -31.717102 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.362 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -0.928 tors. eta vs tors. theta energy: -7.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -55.323798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.323798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.323798 (E_RNA) where: Base-Base interactions energy: -21.491 where: short stacking energy: -21.491 Base-Backbone interact. energy: -0.040 local terms energy: -33.792905 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -6.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -96.194276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.194276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.194276 (E_RNA) where: Base-Base interactions energy: -60.853 where: short stacking energy: -30.654 Base-Backbone interact. energy: -1.161 local terms energy: -34.179821 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -6.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -82.950800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.950800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.950800 (E_RNA) where: Base-Base interactions energy: -53.533 where: short stacking energy: -26.494 Base-Backbone interact. energy: -0.099 local terms energy: -29.318623 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -7.183 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -5.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -54.546557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.546557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.546557 (E_RNA) where: Base-Base interactions energy: -32.905 where: short stacking energy: -18.943 Base-Backbone interact. energy: 1.256 local terms energy: -22.898113 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -5.342 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: 10, replica: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -60.253892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.253892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.253892 (E_RNA) where: Base-Base interactions energy: -30.460 where: short stacking energy: -13.983 Base-Backbone interact. energy: -0.001 local terms energy: -29.793139 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -0.872 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 9 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -106.637921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.637921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.637921 (E_RNA) where: Base-Base interactions energy: -73.519 where: short stacking energy: -36.665 Base-Backbone interact. energy: -0.451 local terms energy: -32.667745 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -2.804 tors. eta vs tors. theta energy: -6.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -106.541791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.541791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.541791 (E_RNA) where: Base-Base interactions energy: -69.249 where: short stacking energy: -35.012 Base-Backbone interact. energy: -1.818 local terms energy: -35.474871 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -9.258 flat angles P-C4'-P energy: -5.632 tors. eta vs tors. theta energy: -5.245 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: 10 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -108.876258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.876258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.876258 (E_RNA) where: Base-Base interactions energy: -71.354 where: short stacking energy: -35.956 Base-Backbone interact. energy: -0.873 local terms energy: -36.648819 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -3.835 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: 4, replica: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -90.772433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.772433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.772433 (E_RNA) where: Base-Base interactions energy: -60.885 where: short stacking energy: -26.452 Base-Backbone interact. energy: -0.000 local terms energy: -29.887788 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -0.901 tors. eta vs tors. theta energy: -6.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -74.705461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.705461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.705461 (E_RNA) where: Base-Base interactions energy: -40.978 where: short stacking energy: -30.482 Base-Backbone interact. energy: -0.000 local terms energy: -33.727036 where: bonds (distance) C4'-P energy: -3.651 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -7.018 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: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -100.284889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.284889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.284889 (E_RNA) where: Base-Base interactions energy: -65.684 where: short stacking energy: -35.768 Base-Backbone interact. energy: 0.290 local terms energy: -34.890795 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -7.377 tors. eta vs tors. theta energy: -8.146 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: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -61.360878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.360878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.360878 (E_RNA) where: Base-Base interactions energy: -32.901 where: short stacking energy: -15.623 Base-Backbone interact. energy: -0.316 local terms energy: -28.143879 where: bonds (distance) C4'-P energy: -5.386 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -1.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -54.109339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.109339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.109339 (E_RNA) where: Base-Base interactions energy: -27.604 where: short stacking energy: -27.604 Base-Backbone interact. energy: -0.040 local terms energy: -26.465824 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.092 flat angles P-C4'-P energy: -2.402 tors. eta vs tors. theta energy: -3.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -78.903014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.903014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.903014 (E_RNA) where: Base-Base interactions energy: -48.490 where: short stacking energy: -24.272 Base-Backbone interact. energy: -0.001 local terms energy: -30.412507 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -1.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -79.922350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.922350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.922350 (E_RNA) where: Base-Base interactions energy: -55.376 where: short stacking energy: -28.104 Base-Backbone interact. energy: -0.084 local terms energy: -24.462459 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -5.850 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -110.167351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.167351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.167351 (E_RNA) where: Base-Base interactions energy: -70.420 where: short stacking energy: -29.884 Base-Backbone interact. energy: -0.577 local terms energy: -39.170204 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: -7.154 tors. eta vs tors. theta energy: -8.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -108.891921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.891921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.891921 (E_RNA) where: Base-Base interactions energy: -75.171 where: short stacking energy: -38.108 Base-Backbone interact. energy: -1.366 local terms energy: -32.354116 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -5.719 tors. eta vs tors. theta energy: -5.173 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: 3, replica: 10 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -105.141012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.141012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.141012 (E_RNA) where: Base-Base interactions energy: -67.387 where: short stacking energy: -33.908 Base-Backbone interact. energy: -0.485 local terms energy: -37.268244 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -7.203 tors. eta vs tors. theta energy: -7.761 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: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -102.744847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.744847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.744847 (E_RNA) where: Base-Base interactions energy: -66.258 where: short stacking energy: -30.258 Base-Backbone interact. energy: -0.538 local terms energy: -35.948938 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -6.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -105.397757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.397757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.397757 (E_RNA) where: Base-Base interactions energy: -69.306 where: short stacking energy: -34.447 Base-Backbone interact. energy: -0.004 local terms energy: -36.087619 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.529 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -6.221 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: 6, replica: 6 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -75.969279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.969279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.969279 (E_RNA) where: Base-Base interactions energy: -45.480 where: short stacking energy: -33.584 Base-Backbone interact. energy: -0.003 local terms energy: -30.486508 where: bonds (distance) C4'-P energy: -3.446 bonds (distance) P-C4' energy: -7.371 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -8.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -52.260120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.260120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.260120 (E_RNA) where: Base-Base interactions energy: -23.435 where: short stacking energy: -23.435 Base-Backbone interact. energy: -0.102 local terms energy: -28.723545 where: bonds (distance) C4'-P energy: -4.644 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -73.387887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.387887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.387887 (E_RNA) where: Base-Base interactions energy: -50.495 where: short stacking energy: -23.644 Base-Backbone interact. energy: -0.004 local terms energy: -22.888874 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -0.650 tors. eta vs tors. theta energy: -5.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -58.967723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.967723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.967723 (E_RNA) where: Base-Base interactions energy: -25.596 where: short stacking energy: -23.752 Base-Backbone interact. energy: -1.110 local terms energy: -32.261719 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -6.320 tors. eta vs tors. theta energy: -4.572 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: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -61.150968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.150968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.150968 (E_RNA) where: Base-Base interactions energy: -34.994 where: short stacking energy: -23.119 Base-Backbone interact. energy: -0.055 local terms energy: -26.102629 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -2.006 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -109.701246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.701246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.701246 (E_RNA) where: Base-Base interactions energy: -72.102 where: short stacking energy: -34.369 Base-Backbone interact. energy: -1.071 local terms energy: -36.528244 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -6.730 tors. eta vs tors. theta energy: -5.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -110.962230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.962230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.962230 (E_RNA) where: Base-Base interactions energy: -71.722 where: short stacking energy: -35.090 Base-Backbone interact. energy: -1.713 local terms energy: -37.527229 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -9.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -106.930091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.930091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.930091 (E_RNA) where: Base-Base interactions energy: -71.887 where: short stacking energy: -30.882 Base-Backbone interact. energy: -0.093 local terms energy: -34.950745 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -10.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -99.635775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.635775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.635775 (E_RNA) where: Base-Base interactions energy: -70.044 where: short stacking energy: -34.824 Base-Backbone interact. energy: 0.762 local terms energy: -30.353649 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -6.594 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -2.181 tors. eta vs tors. theta energy: -6.608 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: 5, replica: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -91.470606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.470606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.470606 (E_RNA) where: Base-Base interactions energy: -58.310 where: short stacking energy: -23.187 Base-Backbone interact. energy: -0.071 local terms energy: -33.089514 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.728 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -64.181858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.181858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.181858 (E_RNA) where: Base-Base interactions energy: -36.893 where: short stacking energy: -25.543 Base-Backbone interact. energy: -0.000 local terms energy: -27.289127 where: bonds (distance) C4'-P energy: -7.721 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -1.991 tors. eta vs tors. theta energy: -3.062 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: 7, replica: 3 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -61.079376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.079376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.079376 (E_RNA) where: Base-Base interactions energy: -31.057 where: short stacking energy: -31.057 Base-Backbone interact. energy: -0.044 local terms energy: -29.978343 where: bonds (distance) C4'-P energy: -4.757 bonds (distance) P-C4' energy: -6.929 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -6.817 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: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -55.995687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.995687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.995687 (E_RNA) where: Base-Base interactions energy: -24.316 where: short stacking energy: -17.177 Base-Backbone interact. energy: -0.000 local terms energy: -31.679680 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -4.624 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: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -50.474879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.474879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.474879 (E_RNA) where: Base-Base interactions energy: -24.968 where: short stacking energy: -14.638 Base-Backbone interact. energy: -0.110 local terms energy: -25.396319 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: 0.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -49.930639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.930639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.930639 (E_RNA) where: Base-Base interactions energy: -23.465 where: short stacking energy: -13.656 Base-Backbone interact. energy: -0.070 local terms energy: -26.396383 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.984 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -1.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -106.241574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.241574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.241574 (E_RNA) where: Base-Base interactions energy: -71.660 where: short stacking energy: -31.713 Base-Backbone interact. energy: -0.104 local terms energy: -34.477436 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -6.072 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: 2, replica: 10 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -109.400873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.400873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.400873 (E_RNA) where: Base-Base interactions energy: -72.334 where: short stacking energy: -36.128 Base-Backbone interact. energy: 0.055 local terms energy: -37.121475 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -7.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -106.445053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.445053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.445053 (E_RNA) where: Base-Base interactions energy: -70.224 where: short stacking energy: -35.109 Base-Backbone interact. energy: -0.727 local terms energy: -35.494313 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -6.843 tors. eta vs tors. theta energy: -4.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -101.089097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.089097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.089097 (E_RNA) where: Base-Base interactions energy: -63.535 where: short stacking energy: -31.414 Base-Backbone interact. energy: -1.397 local terms energy: -36.157436 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -8.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -92.534101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.534101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.534101 (E_RNA) where: Base-Base interactions energy: -64.879 where: short stacking energy: -28.693 Base-Backbone interact. energy: -0.118 local terms energy: -27.536680 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -3.934 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -59.695544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.695544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.695544 (E_RNA) where: Base-Base interactions energy: -26.660 where: short stacking energy: -26.660 Base-Backbone interact. energy: -0.045 local terms energy: -32.990831 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -6.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -53.807072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.807072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.807072 (E_RNA) where: Base-Base interactions energy: -24.776 where: short stacking energy: -24.776 Base-Backbone interact. energy: 0.208 local terms energy: -29.238756 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -2.143 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: 3 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -50.543534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.543534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.543534 (E_RNA) where: Base-Base interactions energy: -25.295 where: short stacking energy: -25.295 Base-Backbone interact. energy: -0.002 local terms energy: -25.246872 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -58.199697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.199697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.199697 (E_RNA) where: Base-Base interactions energy: -24.863 where: short stacking energy: -24.863 Base-Backbone interact. energy: -0.003 local terms energy: -33.333340 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -8.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -58.365141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.365141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.365141 (E_RNA) where: Base-Base interactions energy: -29.094 where: short stacking energy: -29.094 Base-Backbone interact. energy: -0.004 local terms energy: -29.266782 where: bonds (distance) C4'-P energy: -7.686 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -4.895 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -6.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -111.849316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.849316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.849316 (E_RNA) where: Base-Base interactions energy: -78.474 where: short stacking energy: -34.902 Base-Backbone interact. energy: -0.096 local terms energy: -33.279292 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -4.040 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: 2, replica: 9 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -109.880438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.880438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.880438 (E_RNA) where: Base-Base interactions energy: -72.251 where: short stacking energy: -35.631 Base-Backbone interact. energy: -1.691 local terms energy: -35.938482 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -6.304 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: 3, replica: 10 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -107.302788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.302788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.302788 (E_RNA) where: Base-Base interactions energy: -70.823 where: short stacking energy: -35.794 Base-Backbone interact. energy: -1.277 local terms energy: -35.202711 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -6.210 flat angles C4'-P-C4' energy: -9.337 flat angles P-C4'-P energy: -5.272 tors. eta vs tors. theta energy: -7.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -99.080876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.080876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.080876 (E_RNA) where: Base-Base interactions energy: -68.116 where: short stacking energy: -33.976 Base-Backbone interact. energy: -0.522 local terms energy: -30.443451 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -6.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -71.034708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.034708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.034708 (E_RNA) where: Base-Base interactions energy: -40.364 where: short stacking energy: -18.809 Base-Backbone interact. energy: -0.032 local terms energy: -30.638660 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -1.750 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: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -58.388080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.388080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.388080 (E_RNA) where: Base-Base interactions energy: -30.020 where: short stacking energy: -30.020 Base-Backbone interact. energy: -0.000 local terms energy: -28.368156 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -2.110 tors. eta vs tors. theta energy: -5.638 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: 427 Temperature: 1.200000 Total energy: -70.189117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.189117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.189117 (E_RNA) where: Base-Base interactions energy: -33.154 where: short stacking energy: -33.154 Base-Backbone interact. energy: -0.000 local terms energy: -37.035276 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.329 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -10.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -50.110840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.110840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.110840 (E_RNA) where: Base-Base interactions energy: -22.611 where: short stacking energy: -22.611 Base-Backbone interact. energy: -0.001 local terms energy: -27.498553 where: bonds (distance) C4'-P energy: -5.279 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -52.382893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.382893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.382893 (E_RNA) where: Base-Base interactions energy: -26.213 where: short stacking energy: -10.040 Base-Backbone interact. energy: -0.071 local terms energy: -26.098636 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.352 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: 1.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -45.073124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.073124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.073124 (E_RNA) where: Base-Base interactions energy: -15.283 where: short stacking energy: -15.283 Base-Backbone interact. energy: -0.001 local terms energy: -29.788842 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -2.755 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 9 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -108.365803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.365803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.365803 (E_RNA) where: Base-Base interactions energy: -73.508 where: short stacking energy: -36.506 Base-Backbone interact. energy: -0.505 local terms energy: -34.353005 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -6.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -107.278392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.278392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.278392 (E_RNA) where: Base-Base interactions energy: -70.062 where: short stacking energy: -35.959 Base-Backbone interact. energy: -0.299 local terms energy: -36.917220 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -8.819 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -6.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -103.392641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.392641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.392641 (E_RNA) where: Base-Base interactions energy: -69.263 where: short stacking energy: -34.279 Base-Backbone interact. energy: -0.101 local terms energy: -34.028288 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.286 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -5.751 tors. eta vs tors. theta energy: -5.322 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: 10 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -107.167760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.167760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.167760 (E_RNA) where: Base-Base interactions energy: -69.211 where: short stacking energy: -35.920 Base-Backbone interact. energy: -1.230 local terms energy: -36.727413 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -7.766 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -7.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -83.386999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.386999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.386999 (E_RNA) where: Base-Base interactions energy: -49.176 where: short stacking energy: -37.448 Base-Backbone interact. energy: -0.000 local terms energy: -34.211040 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -8.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -87.435834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.435834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.435834 (E_RNA) where: Base-Base interactions energy: -49.841 where: short stacking energy: -32.060 Base-Backbone interact. energy: -0.922 local terms energy: -36.672152 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -8.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -54.631118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.631118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.631118 (E_RNA) where: Base-Base interactions energy: -20.925 where: short stacking energy: -20.925 Base-Backbone interact. energy: -0.002 local terms energy: -33.704626 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -4.940 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: 8, replica: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -76.859334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.859334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.859334 (E_RNA) where: Base-Base interactions energy: -47.778 where: short stacking energy: -19.873 Base-Backbone interact. energy: -0.154 local terms energy: -28.927033 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -58.515391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.515391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.515391 (E_RNA) where: Base-Base interactions energy: -23.095 where: short stacking energy: -22.747 Base-Backbone interact. energy: -0.000 local terms energy: -35.419960 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -7.630 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -8.555 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: 3 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -48.141996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.141996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.141996 (E_RNA) where: Base-Base interactions energy: -17.426 where: short stacking energy: -17.426 Base-Backbone interact. energy: -0.031 local terms energy: -30.684973 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -4.562 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 9 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -105.468730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.468730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.468730 (E_RNA) where: Base-Base interactions energy: -65.296 where: short stacking energy: -33.584 Base-Backbone interact. energy: -1.399 local terms energy: -38.774146 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.641 flat angles P-C4'-P energy: -6.148 tors. eta vs tors. theta energy: -7.819 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: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -110.505168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.505168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.505168 (E_RNA) where: Base-Base interactions energy: -73.101 where: short stacking energy: -35.688 Base-Backbone interact. energy: 0.929 local terms energy: -38.333329 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: -6.116 tors. eta vs tors. theta energy: -7.262 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: 4 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -101.934403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.934403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.934403 (E_RNA) where: Base-Base interactions energy: -64.808 where: short stacking energy: -31.652 Base-Backbone interact. energy: -0.267 local terms energy: -36.859373 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.349 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -7.756 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: 4, replica: 10 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -107.000447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.000447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.000447 (E_RNA) where: Base-Base interactions energy: -71.989 where: short stacking energy: -35.731 Base-Backbone interact. energy: -1.927 local terms energy: -33.084031 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.496 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -7.004 tors. eta vs tors. theta energy: -6.806 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: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -83.805687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.805687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.805687 (E_RNA) where: Base-Base interactions energy: -53.872 where: short stacking energy: -19.936 Base-Backbone interact. energy: -0.001 local terms energy: -29.932061 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -6.032 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -5.614 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: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -53.719120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.719120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.719120 (E_RNA) where: Base-Base interactions energy: -33.033 where: short stacking energy: -19.967 Base-Backbone interact. energy: 2.379 local terms energy: -23.065738 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -4.053 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: 7, replica: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -69.053092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.053092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.053092 (E_RNA) where: Base-Base interactions energy: -32.945 where: short stacking energy: -32.945 Base-Backbone interact. energy: -0.000 local terms energy: -36.107762 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -7.610 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: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -84.833435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.833435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.833435 (E_RNA) where: Base-Base interactions energy: -52.006 where: short stacking energy: -17.076 Base-Backbone interact. energy: -0.111 local terms energy: -32.716543 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -3.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -48.481075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.481075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.481075 (E_RNA) where: Base-Base interactions energy: -20.664 where: short stacking energy: -20.664 Base-Backbone interact. energy: -0.004 local terms energy: -27.812496 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -1.608 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -45.683676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.683676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.683676 (E_RNA) where: Base-Base interactions energy: -19.517 where: short stacking energy: -19.517 Base-Backbone interact. energy: -0.110 local terms energy: -26.057020 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -2.929 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -4.331 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -109.606135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.606135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.606135 (E_RNA) where: Base-Base interactions energy: -75.757 where: short stacking energy: -39.288 Base-Backbone interact. energy: 1.505 local terms energy: -35.354873 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -109.907873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.907873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.907873 (E_RNA) where: Base-Base interactions energy: -72.147 where: short stacking energy: -35.942 Base-Backbone interact. energy: -1.858 local terms energy: -35.902179 where: bonds (distance) C4'-P energy: -8.487 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.993 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -6.621 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: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -103.157306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.157306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.157306 (E_RNA) where: Base-Base interactions energy: -71.903 where: short stacking energy: -37.495 Base-Backbone interact. energy: -0.702 local terms energy: -30.551878 where: bonds (distance) C4'-P energy: -7.248 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -2.217 tors. eta vs tors. theta energy: -5.352 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: 4, replica: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -103.261620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.261620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.261620 (E_RNA) where: Base-Base interactions energy: -68.291 where: short stacking energy: -32.232 Base-Backbone interact. energy: -0.051 local terms energy: -34.919569 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -86.542300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.542300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.542300 (E_RNA) where: Base-Base interactions energy: -59.989 where: short stacking energy: -28.544 Base-Backbone interact. energy: 0.356 local terms energy: -26.909053 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.939 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -69.201951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.201951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.201951 (E_RNA) where: Base-Base interactions energy: -39.354 where: short stacking energy: -17.278 Base-Backbone interact. energy: -0.262 local terms energy: -29.585689 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -6.712 tors. eta vs tors. theta energy: -1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -68.633031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.633031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.633031 (E_RNA) where: Base-Base interactions energy: -39.259 where: short stacking energy: -16.529 Base-Backbone interact. energy: -0.460 local terms energy: -28.914014 where: bonds (distance) C4'-P energy: -5.552 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -6.640 tors. eta vs tors. theta energy: -3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -52.274312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.274312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.274312 (E_RNA) where: Base-Base interactions energy: -26.466 where: short stacking energy: -12.158 Base-Backbone interact. energy: -0.743 local terms energy: -25.066039 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -6.065 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -4.991 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: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -73.544033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.544033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.544033 (E_RNA) where: Base-Base interactions energy: -46.481 where: short stacking energy: -23.739 Base-Backbone interact. energy: -0.122 local terms energy: -26.941498 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -0.383 tors. eta vs tors. theta energy: -6.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -48.143264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.143264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.143264 (E_RNA) where: Base-Base interactions energy: -29.570 where: short stacking energy: -12.270 Base-Backbone interact. energy: -0.064 local terms energy: -18.509210 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -4.488 flat angles P-C4'-P energy: -0.005 tors. eta vs tors. theta energy: 2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -111.362395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.362395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.362395 (E_RNA) where: Base-Base interactions energy: -71.848 where: short stacking energy: -35.714 Base-Backbone interact. energy: -1.422 local terms energy: -38.092783 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -7.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -106.584340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.584340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.584340 (E_RNA) where: Base-Base interactions energy: -76.310 where: short stacking energy: -30.210 Base-Backbone interact. energy: -0.133 local terms energy: -30.141843 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -0.138 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: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -110.369716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.369716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.369716 (E_RNA) where: Base-Base interactions energy: -79.720 where: short stacking energy: -36.717 Base-Backbone interact. energy: -0.006 local terms energy: -30.643795 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -0.276 tors. eta vs tors. theta energy: -7.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -67.461833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.461833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.461833 (E_RNA) where: Base-Base interactions energy: -36.905 where: short stacking energy: -24.889 Base-Backbone interact. energy: -0.004 local terms energy: -30.553191 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.984 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -94.522665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.522665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.522665 (E_RNA) where: Base-Base interactions energy: -60.004 where: short stacking energy: -28.004 Base-Backbone interact. energy: -0.585 local terms energy: -33.932855 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -59.426397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.426397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.426397 (E_RNA) where: Base-Base interactions energy: -30.429 where: short stacking energy: -30.429 Base-Backbone interact. energy: -0.005 local terms energy: -28.992493 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -5.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -59.009726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.009726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.009726 (E_RNA) where: Base-Base interactions energy: -25.792 where: short stacking energy: -20.824 Base-Backbone interact. energy: -0.000 local terms energy: -33.216802 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -6.307 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: 3 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -61.548278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.548278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.548278 (E_RNA) where: Base-Base interactions energy: -37.486 where: short stacking energy: -19.857 Base-Backbone interact. energy: -0.075 local terms energy: -23.987734 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -2.858 flat angles P-C4'-P energy: -3.944 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: 9, replica: 2 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -47.949203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.949203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.949203 (E_RNA) where: Base-Base interactions energy: -23.575 where: short stacking energy: -15.992 Base-Backbone interact. energy: -0.141 local terms energy: -24.233038 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -1.120 tors. eta vs tors. theta energy: -1.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -51.074460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.074460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.074460 (E_RNA) where: Base-Base interactions energy: -20.391 where: short stacking energy: -20.391 Base-Backbone interact. energy: -0.029 local terms energy: -30.655134 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -5.551 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -108.400238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.400238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.400238 (E_RNA) where: Base-Base interactions energy: -69.966 where: short stacking energy: -34.201 Base-Backbone interact. energy: 0.507 local terms energy: -38.940813 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -6.478 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: 2, replica: 9 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -108.291091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.291091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.291091 (E_RNA) where: Base-Base interactions energy: -71.472 where: short stacking energy: -36.211 Base-Backbone interact. energy: -0.006 local terms energy: -36.813248 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -7.049 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: 10 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -104.460930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.460930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.460930 (E_RNA) where: Base-Base interactions energy: -70.450 where: short stacking energy: -35.408 Base-Backbone interact. energy: -0.001 local terms energy: -34.009502 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -7.248 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: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -60.397350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.397350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.397350 (E_RNA) where: Base-Base interactions energy: -26.138 where: short stacking energy: -26.138 Base-Backbone interact. energy: -0.064 local terms energy: -34.195284 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -5.464 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -5.770 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: 5, replica: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -103.486908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.486908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.486908 (E_RNA) where: Base-Base interactions energy: -70.168 where: short stacking energy: -25.830 Base-Backbone interact. energy: -0.087 local terms energy: -33.231907 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -0.756 tors. eta vs tors. theta energy: -9.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -72.732736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.732736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.732736 (E_RNA) where: Base-Base interactions energy: -38.063 where: short stacking energy: -30.529 Base-Backbone interact. energy: -0.001 local terms energy: -34.668293 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -7.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -67.225780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.225780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.225780 (E_RNA) where: Base-Base interactions energy: -32.014 where: short stacking energy: -32.014 Base-Backbone interact. energy: -0.000 local terms energy: -35.211933 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -7.575 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: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -52.253806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.253806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.253806 (E_RNA) where: Base-Base interactions energy: -22.794 where: short stacking energy: -22.794 Base-Backbone interact. energy: -0.052 local terms energy: -29.407340 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -53.710997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.710997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.710997 (E_RNA) where: Base-Base interactions energy: -21.747 where: short stacking energy: -21.747 Base-Backbone interact. energy: -0.048 local terms energy: -31.915853 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -9.482 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -53.726722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.726722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.726722 (E_RNA) where: Base-Base interactions energy: -24.480 where: short stacking energy: -24.480 Base-Backbone interact. energy: -0.005 local terms energy: -29.241506 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -8.186 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -4.842 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -109.914294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.914294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.914294 (E_RNA) where: Base-Base interactions energy: -73.557 where: short stacking energy: -37.591 Base-Backbone interact. energy: -0.215 local terms energy: -36.142186 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.747 flat angles P-C4'-P energy: -3.667 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: 10 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -112.714212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.714212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.714212 (E_RNA) where: Base-Base interactions energy: -71.262 where: short stacking energy: -36.287 Base-Backbone interact. energy: -1.767 local terms energy: -39.685797 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.913 flat angles P-C4'-P energy: -6.101 tors. eta vs tors. theta energy: -8.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -109.383898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.383898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.383898 (E_RNA) where: Base-Base interactions energy: -72.337 where: short stacking energy: -35.505 Base-Backbone interact. energy: -0.061 local terms energy: -36.986076 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -5.375 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: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -105.708658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.708658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.708658 (E_RNA) where: Base-Base interactions energy: -72.012 where: short stacking energy: -30.453 Base-Backbone interact. energy: -0.044 local terms energy: -33.652606 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -6.793 tors. eta vs tors. theta energy: -4.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -64.662050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.662050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.662050 (E_RNA) where: Base-Base interactions energy: -31.015 where: short stacking energy: -31.015 Base-Backbone interact. energy: -0.001 local terms energy: -33.645505 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -6.422 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -4.441 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: 6, replica: 3 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -69.103671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.103671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.103671 (E_RNA) where: Base-Base interactions energy: -33.841 where: short stacking energy: -30.738 Base-Backbone interact. energy: -0.000 local terms energy: -35.262840 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -9.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -76.882165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.882165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.882165 (E_RNA) where: Base-Base interactions energy: -51.882 where: short stacking energy: -29.144 Base-Backbone interact. energy: -0.017 local terms energy: -24.983751 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -5.824 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -2.999 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -53.452536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.452536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.452536 (E_RNA) where: Base-Base interactions energy: -20.274 where: short stacking energy: -20.274 Base-Backbone interact. energy: -0.033 local terms energy: -33.146104 where: bonds (distance) C4'-P energy: -6.250 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.561 flat angles P-C4'-P energy: -7.194 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -50.911037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.911037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.911037 (E_RNA) where: Base-Base interactions energy: -21.009 where: short stacking energy: -21.009 Base-Backbone interact. energy: -0.035 local terms energy: -29.866953 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -57.410457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.410457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.410457 (E_RNA) where: Base-Base interactions energy: -31.393 where: short stacking energy: -29.108 Base-Backbone interact. energy: -0.000 local terms energy: -26.017130 where: bonds (distance) C4'-P energy: -2.739 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -1.919 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -108.684787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.684787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.684787 (E_RNA) where: Base-Base interactions energy: -70.903 where: short stacking energy: -34.668 Base-Backbone interact. energy: -1.308 local terms energy: -36.473722 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -7.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -107.327698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.327698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.327698 (E_RNA) where: Base-Base interactions energy: -67.339 where: short stacking energy: -34.018 Base-Backbone interact. energy: -0.964 local terms energy: -39.024119 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -7.012 tors. eta vs tors. theta energy: -7.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -109.215369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.215369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.215369 (E_RNA) where: Base-Base interactions energy: -71.514 where: short stacking energy: -32.496 Base-Backbone interact. energy: -0.161 local terms energy: -37.539931 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -8.569 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: 9 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -107.864569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.864569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.864569 (E_RNA) where: Base-Base interactions energy: -71.078 where: short stacking energy: -34.961 Base-Backbone interact. energy: -1.541 local terms energy: -35.245556 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -7.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -62.779841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.779841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.779841 (E_RNA) where: Base-Base interactions energy: -32.338 where: short stacking energy: -32.338 Base-Backbone interact. energy: -0.001 local terms energy: -30.440758 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -2.729 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: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -58.634188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.634188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.634188 (E_RNA) where: Base-Base interactions energy: -28.675 where: short stacking energy: -28.675 Base-Backbone interact. energy: -0.002 local terms energy: -29.957453 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -4.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -62.954419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.954419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.954419 (E_RNA) where: Base-Base interactions energy: -30.623 where: short stacking energy: -28.935 Base-Backbone interact. energy: -0.041 local terms energy: -32.290532 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -5.196 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -63.602326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.602326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.602326 (E_RNA) where: Base-Base interactions energy: -29.242 where: short stacking energy: -23.518 Base-Backbone interact. energy: -0.094 local terms energy: -34.266579 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -5.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -56.237030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.237030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.237030 (E_RNA) where: Base-Base interactions energy: -24.696 where: short stacking energy: -21.273 Base-Backbone interact. energy: -0.012 local terms energy: -31.529492 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -3.644 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -47.885897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.885897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.885897 (E_RNA) where: Base-Base interactions energy: -19.645 where: short stacking energy: -19.645 Base-Backbone interact. energy: -0.092 local terms energy: -28.148633 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -3.394 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) DONE DONE